10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene

C62H40 — CID 91534318

IUPAC10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H40/c1-3-18-41(19-4-1)46-38-39-57-58(40-46)61(43-21-5-2-6-22-43)52-28-12-11-27-51(52)60(57)45-36-34-44(35-37-45)59-53-29-13-15-31-55(53)62(56-32-16-14-30-54(56)59)50-26-10-9-25-49(50)48-33-17-23-42-20-7-8-24-47(42)48/h1-40H
InChIKeyAJTQOSYBNUIKBV-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

About 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene

10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene (PubChem CID 91534318) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene.

Molecular Properties

Compound Name10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
PubChem CID91534318
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H40/c1-3-18-41(19-4-1)46-38-39-57-58(40-46)61(43-21-5-2-6-22-43)52-28-12-11-27-51(52)60(57)45-36-34-44(35-37-45)59-53-29-13-15-31-55(53)62(56-32-16-14-30-54(56)59)50-26-10-9-25-49(50)48-33-17-23-42-20-7-8-24-47(42)48/h1-40H
InChIKeyAJTQOSYBNUIKBV-UHFFFAOYSA-N
XLogP17.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.45
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-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
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-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
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
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799

Frequently Asked Questions

What is the IUPAC name of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene?
The IUPAC name of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene (CID 91534318) is 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene.
What is the SMILES notation for 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene?
The canonical SMILES for 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene is c1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene?
The InChIKey is AJTQOSYBNUIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-18-41(19-4-1)46-38-39-57-58(40-46)61(43-21-5-2-6-22-43)52-28-12-11-27-51(52)60(57)45-36-34-44(35-37-45)59-53-29-13-15-31-55(53)62(56-32-16-14-30-54(56)59)50-26-10-9-25-49(50)48-33-17-23-42-20-7-8-24-47(42)48/h1-40H.
What are the key properties of 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene?
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene is sourced from PubChem (CID 91534318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).