6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene

C236H166 — CID 161480275

IUPAC6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)cc3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21
InChIInChI=1S/3C59H42.C59H40/c1-59(2)53-33-42(24-28-49(53)50-29-25-44(34-54(50)59)46-26-20-39-18-16-35-8-5-10-37-22-30-51(46)57(39)55(35)37)41-12-7-13-43(32-41)45-14-3-4-15-47(45)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38;1-59(2)53-33-43(24-28-49(53)50-29-25-44(34-54(50)59)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38)46-15-4-3-14-45(46)41-12-7-13-42(32-41)47-26-20-39-18-16-35-8-5-10-37-22-30-51(47)57(39)55(35)37;1-59(2)53-33-43(25-29-49(53)50-30-26-44(34-54(50)59)48-28-22-42-20-18-38-8-6-10-40-24-32-52(48)58(42)56(38)40)46-12-4-3-11-45(46)35-13-15-36(16-14-35)47-27-21-41-19-17-37-7-5-9-39-23-31-51(47)57(41)55(37)39;1-59(2)53-33-41(25-29-49(53)50-30-26-42(34-54(50)59)44-27-21-39-19-17-35-9-7-11-37-23-31-51(44)57(39)55(35)37)43-13-3-4-14-45(43)46-15-5-6-16-47(46)48-28-22-40-20-18-36-10-8-12-38-24-32-52(48)58(40)56(36)38/h2*3-7,10-17,20-34H,8-9,18-19H2,1-2H3;3-6,9-18,21-34H,7-8,19-20H2,1-2H3;3-8,10-18,20-34H,9,19H2,1-2H3
InChIKeyWEGMPTQLVIAUQR-UHFFFAOYSA-N
MW3001.92 g/mol
LogP63.11
Rot. Bonds16

About 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene

6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene (PubChem CID 161480275) has the molecular formula C236H166 and a molecular weight of 3001.92 g/mol. Its IUPAC name is 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene.

Molecular Properties

Compound Name6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
PubChem CID161480275
Molecular FormulaC236H166
Molecular Weight3001.92 g/mol
Exact Mass2999.30
IUPAC Name6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)cc3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21
InChIInChI=1S/3C59H42.C59H40/c1-59(2)53-33-42(24-28-49(53)50-29-25-44(34-54(50)59)46-26-20-39-18-16-35-8-5-10-37-22-30-51(46)57(39)55(35)37)41-12-7-13-43(32-41)45-14-3-4-15-47(45)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38;1-59(2)53-33-43(24-28-49(53)50-29-25-44(34-54(50)59)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38)46-15-4-3-14-45(46)41-12-7-13-42(32-41)47-26-20-39-18-16-35-8-5-10-37-22-30-51(47)57(39)55(35)37;1-59(2)53-33-43(25-29-49(53)50-30-26-44(34-54(50)59)48-28-22-42-20-18-38-8-6-10-40-24-32-52(48)58(42)56(38)40)46-12-4-3-11-45(46)35-13-15-36(16-14-35)47-27-21-41-19-17-37-7-5-9-39-23-31-51(47)57(41)55(37)39;1-59(2)53-33-41(25-29-49(53)50-30-26-42(34-54(50)59)44-27-21-39-19-17-35-9-7-11-37-23-31-51(44)57(39)55(35)37)43-13-3-4-14-45(43)46-15-5-6-16-47(46)48-28-22-40-20-18-36-10-8-12-38-24-32-52(48)58(40)56(36)38/h2*3-7,10-17,20-34H,8-9,18-19H2,1-2H3;3-6,9-18,21-34H,7-8,19-20H2,1-2H3;3-8,10-18,20-34H,9,19H2,1-2H3
InChIKeyWEGMPTQLVIAUQR-UHFFFAOYSA-N
XLogP63.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003001.92
LogP ≤ 563.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene with MolForge

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Related Compounds

2-(4,6-dihydropyren-1-yl)-8-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758533
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
7-[4-[4-[4-[7-[7-[4-(7-tert-butyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;3-[4-[4-[4-[7-[7-[4-(4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene
CID 161185600
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
CID 123242864
1-[4-[2-[3-(4,6-dihydropyren-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]pyrene
CID 143388675
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
2-tert-butyl-6-[4-[7-[7-[4-[4-(8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]-1,9-dihydropyrene
CID 123247507
2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene
CID 123370452
1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
CID 143594233
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene?
The IUPAC name of 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene (CID 161480275) is 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene.
What is the SMILES notation for 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene?
The canonical SMILES for 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene is CC1(C)c2cc(-c3cccc(-c4ccccc4-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)cc3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c7c(ccc46)C=CCC7=CC5)c3)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.CC1(C)c2cc(-c3ccccc3-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc21.
What is the InChIKey of 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene?
The InChIKey is WEGMPTQLVIAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H42.C59H40/c1-59(2)53-33-42(24-28-49(53)50-29-25-44(34-54(50)59)46-26-20-39-18-16-35-8-5-10-37-22-30-51(46)57(39)55(35)37)41-12-7-13-43(32-41)45-14-3-4-15-47(45)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38;1-59(2)53-33-43(24-28-49(53)50-29-25-44(34-54(50)59)48-27-21-40-19-17-36-9-6-11-38-23-31-52(48)58(40)56(36)38)46-15-4-3-14-45(46)41-12-7-13-42(32-41)47-26-20-39-18-16-35-8-5-10-37-22-30-51(47)57(39)55(35)37;1-59(2)53-33-43(25-29-49(53)50-30-26-44(34-54(50)59)48-28-22-42-20-18-38-8-6-10-40-24-32-52(48)58(42)56(38)40)46-12-4-3-11-45(46)35-13-15-36(16-14-35)47-27-21-41-19-17-37-7-5-9-39-23-31-51(47)57(41)55(37)39;1-59(2)53-33-41(25-29-49(53)50-30-26-42(34-54(50)59)44-27-21-39-19-17-35-9-7-11-37-23-31-51(44)57(39)55(35)37)43-13-3-4-14-45(43)46-15-5-6-16-47(46)48-28-22-40-20-18-36-10-8-12-38-24-32-52(48)58(40)56(36)38/h2*3-7,10-17,20-34H,8-9,18-19H2,1-2H3;3-6,9-18,21-34H,7-8,19-20H2,1-2H3;3-8,10-18,20-34H,9,19H2,1-2H3.
What are the key properties of 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene?
6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene has a molecular weight of 3001.92 g/mol, XLogP of 63.11, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene is sourced from PubChem (CID 161480275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).