2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene

C35H26 — CID 156673302

IUPAC2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C35H26/c1-25-11-13-29(14-12-25)33-22-34(30-17-15-28(16-18-30)26-7-3-2-4-8-26)24-35(23-33)32-20-19-27-9-5-6-10-31(27)21-32/h2-24H,1H3
InChIKeyJADIJMZRAMNAGY-UHFFFAOYSA-N
MW446.59 g/mol
LogP9.82
Rot. Bonds4

About 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene

2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene (PubChem CID 156673302) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
PubChem CID156673302
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C35H26/c1-25-11-13-29(14-12-25)33-22-34(30-17-15-28(16-18-30)26-7-3-2-4-8-26)24-35(23-33)32-20-19-27-9-5-6-10-31(27)21-32/h2-24H,1H3
InChIKeyJADIJMZRAMNAGY-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene 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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene?
The IUPAC name of 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene (CID 156673302) is 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene.
What is the SMILES notation for 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene?
The canonical SMILES for 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene is Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene?
The InChIKey is JADIJMZRAMNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26/c1-25-11-13-29(14-12-25)33-22-34(30-17-15-28(16-18-30)26-7-3-2-4-8-26)24-35(23-33)32-20-19-27-9-5-6-10-31(27)21-32/h2-24H,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene?
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene has a molecular weight of 446.59 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene is sourced from PubChem (CID 156673302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).