9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene

C42H28 — CID 58323615

IUPAC9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C42H28/c1-3-13-29(14-4-1)32-19-11-20-34(27-32)41-37-22-9-10-23-38(37)42(36-24-12-18-31-17-7-8-21-35(31)36)40-28-33(25-26-39(40)41)30-15-5-2-6-16-30/h1-28H
InChIKeyFRBVXMABPMLZTE-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene

9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene (PubChem CID 58323615) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
PubChem CID58323615
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C42H28/c1-3-13-29(14-4-1)32-19-11-20-34(27-32)41-37-22-9-10-23-38(37)42(36-24-12-18-31-17-7-8-21-35(31)36)40-28-33(25-26-39(40)41)30-15-5-2-6-16-30/h1-28H
InChIKeyFRBVXMABPMLZTE-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
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

10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
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
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene (CID 58323615) is 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene?
The InChIKey is FRBVXMABPMLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-13-29(14-4-1)32-19-11-20-34(27-32)41-37-22-9-10-23-38(37)42(36-24-12-18-31-17-7-8-21-35(31)36)40-28-33(25-26-39(40)41)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene?
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 58323615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).