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

C42H28 — CID 58323636

IUPAC9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C42H28/c1-3-14-29(15-4-1)32-26-27-39-40(28-32)42(36-25-13-19-31-18-7-8-20-34(31)36)38-24-12-11-23-37(38)41(39)35-22-10-9-21-33(35)30-16-5-2-6-17-30/h1-28H
InChIKeyKCXMFNHDPZYNIX-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

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

9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene (PubChem CID 58323636) 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-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
PubChem CID58323636
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C42H28/c1-3-14-29(15-4-1)32-26-27-39-40(28-32)42(36-25-13-19-31-18-7-8-20-34(31)36)38-24-12-11-23-37(38)41(39)35-22-10-9-21-33(35)30-16-5-2-6-17-30/h1-28H
InChIKeyKCXMFNHDPZYNIX-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'}

Analyze 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
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
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
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-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
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-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene (CID 58323636) is 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene is c1ccc(-c2ccc3c(-c4ccccc4-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene?
The InChIKey is KCXMFNHDPZYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-14-29(15-4-1)32-26-27-39-40(28-32)42(36-25-13-19-31-18-7-8-20-34(31)36)38-24-12-11-23-37(38)41(39)35-22-10-9-21-33(35)30-16-5-2-6-17-30/h1-28H.
What are the key properties of 9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene?
9-naphthalen-1-yl-2-phenyl-10-(2-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-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58323636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).