8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene

C58H40 — CID 123460391

IUPAC8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4=c5ccc6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc(c5c67)CC4)cc3)c2)cc1
InChIInChI=1S/C58H40/c1-5-13-39(14-6-1)47-33-48(40-15-7-2-8-16-40)35-49(34-47)43-21-23-44(24-22-43)53-29-25-45-28-32-56-54(30-26-46-27-31-55(53)57(45)58(46)56)52-37-50(41-17-9-3-10-18-41)36-51(38-52)42-19-11-4-12-20-42/h1-24,26-28,30-38H,25,29H2
InChIKeyMBDWDSGXOUSZMT-UHFFFAOYSA-N
MW736.96 g/mol
LogP14.86
Rot. Bonds7

About 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene

8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene (PubChem CID 123460391) has the molecular formula C58H40 and a molecular weight of 736.96 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene.

Molecular Properties

Compound Name8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
PubChem CID123460391
Molecular FormulaC58H40
Molecular Weight736.96 g/mol
Exact Mass736.31
IUPAC Name8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4=c5ccc6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc(c5c67)CC4)cc3)c2)cc1
InChIInChI=1S/C58H40/c1-5-13-39(14-6-1)47-33-48(40-15-7-2-8-16-40)35-49(34-47)43-21-23-44(24-22-43)53-29-25-45-28-32-56-54(30-26-46-27-31-55(53)57(45)58(46)56)52-37-50(41-17-9-3-10-18-41)36-51(38-52)42-19-11-4-12-20-42/h1-24,26-28,30-38H,25,29H2
InChIKeyMBDWDSGXOUSZMT-UHFFFAOYSA-N
XLogP14.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-anthracen-9-yl-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
CID 123379896
1,6-bis(3,5-diphenylphenyl)pyrene
CID 59133444
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-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-[3-bromo-5-(3-phenylphenyl)phenyl]pyrene
CID 86253771
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine
CID 123581383
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-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128
1,6-bis[3,5-bis(4-methoxyphenyl)phenyl]pyrene
CID 171600428

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene?
The IUPAC name of 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene (CID 123460391) is 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene.
What is the SMILES notation for 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene?
The canonical SMILES for 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C4=c5ccc6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc(c5c67)CC4)cc3)c2)cc1.
What is the InChIKey of 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene?
The InChIKey is MBDWDSGXOUSZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40/c1-5-13-39(14-6-1)47-33-48(40-15-7-2-8-16-40)35-49(34-47)43-21-23-44(24-22-43)53-29-25-45-28-32-56-54(30-26-46-27-31-55(53)57(45)58(46)56)52-37-50(41-17-9-3-10-18-41)36-51(38-52)42-19-11-4-12-20-42/h1-24,26-28,30-38H,25,29H2.
What are the key properties of 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene?
8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene has a molecular weight of 736.96 g/mol, XLogP of 14.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene is sourced from PubChem (CID 123460391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).