9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene

C60H40 — CID 144837402

IUPAC9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C60H40/c1-4-17-41(18-5-1)42-31-33-44(34-32-42)51-37-38-52(47-24-16-23-46(39-47)50-26-11-10-25-49(50)43-19-6-2-7-20-43)58-40-48(35-36-53(51)58)60-56-29-14-12-27-54(56)59(45-21-8-3-9-22-45)55-28-13-15-30-57(55)60/h1-40H
InChIKeyGQCVRBNFSXOKRK-UHFFFAOYSA-N
MW760.98 g/mol
LogP16.82
Rot. Bonds7

About 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene

9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene (PubChem CID 144837402) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
PubChem CID144837402
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C60H40/c1-4-17-41(18-5-1)42-31-33-44(34-32-42)51-37-38-52(47-24-16-23-46(39-47)50-26-11-10-25-49(50)43-19-6-2-7-20-43)58-40-48(35-36-53(51)58)60-56-29-14-12-27-54(56)59(45-21-8-3-9-22-45)55-28-13-15-30-57(55)60/h1-40H
InChIKeyGQCVRBNFSXOKRK-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene (CID 144837402) is 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene is c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
The InChIKey is GQCVRBNFSXOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-4-17-41(18-5-1)42-31-33-44(34-32-42)51-37-38-52(47-24-16-23-46(39-47)50-26-11-10-25-49(50)43-19-6-2-7-20-43)58-40-48(35-36-53(51)58)60-56-29-14-12-27-54(56)59(45-21-8-3-9-22-45)55-28-13-15-30-57(55)60/h1-40H.
What are the key properties of 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene?
9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene has a molecular weight of 760.98 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 144837402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).