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Pyrenes

Polycyclic organic compounds that consist of four fused benzene rings with a total of sixteen carbon atoms and ten hydrogen atoms.
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1

Pyranine

CAS: 6358-69-6 Molecular Formula: C16H7Na3O10S3 Molecular Weight (g/mol): 524.37 MDL Number: MFCD00037575 InChI Key: KXXXUIKPSVVSAW-UHFFFAOYSA-K Synonym: pyranine,solvent green 7,c.i. solvent green 7,japan green 204,hpts,FD&C green no. 8,japan green no. 204,pyrene 1,pyranine 120,FD&C green 8 PubChem CID: 61388 ChEBI: CHEBI:52083 IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate SMILES: [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

PubChem CID 61388
CAS 6358-69-6
Molecular Weight (g/mol) 524.37
ChEBI CHEBI:52083
MDL Number MFCD00037575
SMILES [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Synonym pyranine,solvent green 7,c.i. solvent green 7,japan green 204,hpts,FD&C green no. 8,japan green no. 204,pyrene 1,pyranine 120,FD&C green 8
IUPAC Name trisodium;8-hydroxypyrene-1,3,6-trisulfonate
InChI Key KXXXUIKPSVVSAW-UHFFFAOYSA-K
Molecular Formula C16H7Na3O10S3
2

Thermo Scientific Chemicals 8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt, 98%

CAS: 6358-69-6 Molecular Formula: C16H7Na3O10S3 Molecular Weight (g/mol): 524.37 MDL Number: MFCD00037575 InChI Key: KXXXUIKPSVVSAW-UHFFFAOYSA-K PubChem CID: 61388 ChEBI: CHEBI:52083 IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate SMILES: [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

PubChem CID 61388
CAS 6358-69-6
Molecular Weight (g/mol) 524.37
ChEBI CHEBI:52083
MDL Number MFCD00037575
SMILES [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium;8-hydroxypyrene-1,3,6-trisulfonate
InChI Key KXXXUIKPSVVSAW-UHFFFAOYSA-K
Molecular Formula C16H7Na3O10S3
3

4-Nitropyrene 97.0+%, TCI America™

CAS: 57835-92-4 Molecular Formula: C16H9NO2 Molecular Weight (g/mol): 247.25 MDL Number: MFCD00215955 InChI Key: UISKIUIWPSPSAV-UHFFFAOYSA-N PubChem CID: 62134 ChEBI: CHEBI:82355 IUPAC Name: 4-nitropyrene SMILES: [O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23

PubChem CID 62134
CAS 57835-92-4
Molecular Weight (g/mol) 247.25
ChEBI CHEBI:82355
MDL Number MFCD00215955
SMILES [O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23
IUPAC Name 4-nitropyrene
InChI Key UISKIUIWPSPSAV-UHFFFAOYSA-N
Molecular Formula C16H9NO2
4

1,3-Diaminopyrene 98.0+%, TCI America™

CAS: 92821-64-2 Molecular Formula: C16H12N2 Molecular Weight (g/mol): 232.286 MDL Number: MFCD00142518 InChI Key: WOFKFNZIJZWWPZ-UHFFFAOYSA-N PubChem CID: 13262724 IUPAC Name: pyrene-1,3-diamine SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)N)N

PubChem CID 13262724
CAS 92821-64-2
Molecular Weight (g/mol) 232.286
MDL Number MFCD00142518
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)N)N
IUPAC Name pyrene-1,3-diamine
InChI Key WOFKFNZIJZWWPZ-UHFFFAOYSA-N
Molecular Formula C16H12N2
5

1,3,6,8-Tetraphenylpyrene 98.0+%, TCI America™

CAS: 13638-82-9 Molecular Formula: C40H26 Molecular Weight (g/mol): 506.648 MDL Number: MFCD00021662 InChI Key: SIJHJHYRYHIWFW-UHFFFAOYSA-N PubChem CID: 256832 IUPAC Name: 1,3,6,8-tetraphenylpyrene SMILES: C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

PubChem CID 256832
CAS 13638-82-9
Molecular Weight (g/mol) 506.648
MDL Number MFCD00021662
SMILES C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
IUPAC Name 1,3,6,8-tetraphenylpyrene
InChI Key SIJHJHYRYHIWFW-UHFFFAOYSA-N
Molecular Formula C40H26
6

1,4-Di(1-pyrenyl)benzene 98.0+%, TCI America™

CAS: 475460-77-6 Molecular Formula: C38H22 Molecular Weight (g/mol): 478.594 MDL Number: MFCD12022457 InChI Key: IJJYNFWMKNYNEW-UHFFFAOYSA-N Synonym: 1,1′C-(1,4-Phenylene)bispyrene PubChem CID: 23530003 IUPAC Name: 1-(4-pyren-1-ylphenyl)pyrene SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

PubChem CID 23530003
CAS 475460-77-6
Molecular Weight (g/mol) 478.594
MDL Number MFCD12022457
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6
Synonym 1,1′C-(1,4-Phenylene)bispyrene
IUPAC Name 1-(4-pyren-1-ylphenyl)pyrene
InChI Key IJJYNFWMKNYNEW-UHFFFAOYSA-N
Molecular Formula C38H22
7

1-(Azidomethyl)pyrene 98.0+%, TCI America™

CAS: 1006061-57-9 Molecular Formula: C17H11N3 Molecular Weight (g/mol): 257.296 InChI Key: WLKXPQFZTSRGHP-UHFFFAOYSA-N PubChem CID: 89183461 IUPAC Name: diazonio(pyren-1-ylmethyl)azanide SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N

PubChem CID 89183461
CAS 1006061-57-9
Molecular Weight (g/mol) 257.296
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N
IUPAC Name diazonio(pyren-1-ylmethyl)azanide
InChI Key WLKXPQFZTSRGHP-UHFFFAOYSA-N
Molecular Formula C17H11N3
8

2,7-Di(1-pyrenyl)-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™

CAS: 886456-80-0 Molecular Formula: C57H32 Molecular Weight (g/mol): 716.883 MDL Number: MFCD12022456 InChI Key: MJXRNMQMLMXICM-UHFFFAOYSA-N PubChem CID: 86242657 IUPAC Name: 2',7'-di(pyren-1-yl)-9,9'-spirobi[fluorene] SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C4C=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

PubChem CID 86242657
CAS 886456-80-0
Molecular Weight (g/mol) 716.883
MDL Number MFCD12022456
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C4C=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
IUPAC Name 2',7'-di(pyren-1-yl)-9,9'-spirobi[fluorene]
InChI Key MJXRNMQMLMXICM-UHFFFAOYSA-N
Molecular Formula C57H32
9

9,9-Bis[4-(1-pyrenyl)phenyl]fluorene 96.0+%, TCI America™

CAS: 1174006-47-3 Molecular Formula: C57H34 Molecular Weight (g/mol): 718.899 MDL Number: MFCD12022454 InChI Key: WHLKCPQPGTUZBU-UHFFFAOYSA-N PubChem CID: 101502333 IUPAC Name: 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

PubChem CID 101502333
CAS 1174006-47-3
Molecular Weight (g/mol) 718.899
MDL Number MFCD12022454
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
IUPAC Name 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene
InChI Key WHLKCPQPGTUZBU-UHFFFAOYSA-N
Molecular Formula C57H34
10

N-(1-Pyrenyl)maleimide 97.0+%, TCI America™

CAS: 42189-56-0 Molecular Formula: C20H11NO2 Molecular Weight (g/mol): 297.31 MDL Number: MFCD00049301 InChI Key: NPTUGEKDRBZJRE-UHFFFAOYSA-N Synonym: n-1-pyrenyl maleimide,n-1-pyrene maleimide,1-pyren-1-yl-1h-pyrrole-2,5-dione,n-3-pyrenyl maleimide,1-pyren-1-yl pyrrole-2,5-dione,n-1-pyrenyl-maleimide,acmc-209jo6,n-3-pyrene maleeimide,1h-pyrrole-2,5-dione,1-1-pyrenyl PubChem CID: 626783 IUPAC Name: 1-(pyren-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione SMILES: O=C1C=CC(=O)N1C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23

PubChem CID 626783
CAS 42189-56-0
Molecular Weight (g/mol) 297.31
MDL Number MFCD00049301
SMILES O=C1C=CC(=O)N1C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23
Synonym n-1-pyrenyl maleimide,n-1-pyrene maleimide,1-pyren-1-yl-1h-pyrrole-2,5-dione,n-3-pyrenyl maleimide,1-pyren-1-yl pyrrole-2,5-dione,n-1-pyrenyl-maleimide,acmc-209jo6,n-3-pyrene maleeimide,1h-pyrrole-2,5-dione,1-1-pyrenyl
IUPAC Name 1-(pyren-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
InChI Key NPTUGEKDRBZJRE-UHFFFAOYSA-N
Molecular Formula C20H11NO2
11

1-Hydroxypyrene, 99+%

CAS: 5315-79-7 Molecular Formula: C16H10O Molecular Weight (g/mol): 218.25 MDL Number: MFCD00044543 InChI Key: BIJNHUAPTJVVNQ-UHFFFAOYSA-N Synonym: 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci PubChem CID: 21387 ChEBI: CHEBI:34093 IUPAC Name: pyren-1-ol SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O

PubChem CID 21387
CAS 5315-79-7
Molecular Weight (g/mol) 218.25
ChEBI CHEBI:34093
MDL Number MFCD00044543
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
Synonym 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci
IUPAC Name pyren-1-ol
InChI Key BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Molecular Formula C16H10O
12

1,6-Diaminopyrene 98.0+%, TCI America™

CAS: 14923-84-3 Molecular Formula: C16H12N2 Molecular Weight (g/mol): 232.29 MDL Number: MFCD00142568 InChI Key: OWJJRQSAIMYXQJ-UHFFFAOYSA-N PubChem CID: 146178 IUPAC Name: pyrene-1,6-diamine SMILES: NC1=CC=C2C=CC3=C(N)C=CC4=CC=C1C2=C34

PubChem CID 146178
CAS 14923-84-3
Molecular Weight (g/mol) 232.29
MDL Number MFCD00142568
SMILES NC1=CC=C2C=CC3=C(N)C=CC4=CC=C1C2=C34
IUPAC Name pyrene-1,6-diamine
InChI Key OWJJRQSAIMYXQJ-UHFFFAOYSA-N
Molecular Formula C16H12N2
13

1-Aminopyrene 98.0+%, TCI America™

CAS: 1606-67-3 Molecular Formula: C16H11N Molecular Weight (g/mol): 217.27 MDL Number: MFCD00004140 InChI Key: YZVWKHVRBDQPMQ-UHFFFAOYSA-N Synonym: 1-aminopyrene,1-pyrenamine,3-aminopyrene,pyrene, amino,pyren-1-ylamine,aminopyrene,pyrenamine,alpha-aminopyrene,unii-luw9eo1681,ccris 760 PubChem CID: 15352 IUPAC Name: pyren-1-amine SMILES: NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 15352
CAS 1606-67-3
Molecular Weight (g/mol) 217.27
MDL Number MFCD00004140
SMILES NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-aminopyrene,1-pyrenamine,3-aminopyrene,pyrene, amino,pyren-1-ylamine,aminopyrene,pyrenamine,alpha-aminopyrene,unii-luw9eo1681,ccris 760
IUPAC Name pyren-1-amine
InChI Key YZVWKHVRBDQPMQ-UHFFFAOYSA-N
Molecular Formula C16H11N
14

1-Propionylpyrene, 98%, Thermo Scientific™

CAS: 500004-32-0 Molecular Formula: C19H14O Molecular Weight (g/mol): 258.31 InChI Key: COIWAOXGROSMQJ-UHFFFAOYSA-N PubChem CID: 232861 IUPAC Name: 1-pyren-1-ylpropan-1-one SMILES: CCC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

PubChem CID 232861
CAS 500004-32-0
Molecular Weight (g/mol) 258.31
SMILES CCC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
IUPAC Name 1-pyren-1-ylpropan-1-one
InChI Key COIWAOXGROSMQJ-UHFFFAOYSA-N
Molecular Formula C19H14O
15

1-Acetylpyrene, 97%

CAS: 3264-21-9 Molecular Formula: C18H12O Molecular Weight (g/mol): 244.29 InChI Key: KCIJNJVCFPSUBQ-UHFFFAOYSA-N Synonym: 1-acetylpyrene,ethanone, 1-1-pyrenyl,1-pyren-1-yl ethanone,ethanone,1-1-pyrenyl,acetylpyrene,1-1-pyrenyl ethanone #,acmc-1cs50 PubChem CID: 96251 IUPAC Name: 1-pyren-1-ylethanone SMILES: CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

PubChem CID 96251
CAS 3264-21-9
Molecular Weight (g/mol) 244.29
SMILES CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Synonym 1-acetylpyrene,ethanone, 1-1-pyrenyl,1-pyren-1-yl ethanone,ethanone,1-1-pyrenyl,acetylpyrene,1-1-pyrenyl ethanone #,acmc-1cs50
IUPAC Name 1-pyren-1-ylethanone
InChI Key KCIJNJVCFPSUBQ-UHFFFAOYSA-N
Molecular Formula C18H12O