9-[2-(4-methylphenyl)phenyl]phenanthrene

C27H20 — CID 140958639

IUPAC9-[2-(4-methylphenyl)phenyl]phenanthrene
SMILESCc1ccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C27H20/c1-19-14-16-20(17-15-19)22-9-4-5-12-25(22)27-18-21-8-2-3-10-23(21)24-11-6-7-13-26(24)27/h2-18H,1H3
InChIKeyGTLYYVLQRCAZIU-UHFFFAOYSA-N
MW344.46 g/mol
LogP7.64
Rot. Bonds2

About 9-[2-(4-methylphenyl)phenyl]phenanthrene

9-[2-(4-methylphenyl)phenyl]phenanthrene (PubChem CID 140958639) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-[2-(4-methylphenyl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[2-(4-methylphenyl)phenyl]phenanthrene
PubChem CID140958639
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9-[2-(4-methylphenyl)phenyl]phenanthrene
SMILESCc1ccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C27H20/c1-19-14-16-20(17-15-19)22-9-4-5-12-25(22)27-18-21-8-2-3-10-23(21)24-11-6-7-13-26(24)27/h2-18H,1H3
InChIKeyGTLYYVLQRCAZIU-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[2-(4-methylphenyl)phenyl]phenanthrene 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-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
N-(4-naphthalen-1-ylphenyl)-4-(2-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 163547627
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 174107449
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methylphenyl)phenyl]phenanthrene?
The IUPAC name of 9-[2-(4-methylphenyl)phenyl]phenanthrene (CID 140958639) is 9-[2-(4-methylphenyl)phenyl]phenanthrene.
What is the SMILES notation for 9-[2-(4-methylphenyl)phenyl]phenanthrene?
The canonical SMILES for 9-[2-(4-methylphenyl)phenyl]phenanthrene is Cc1ccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-[2-(4-methylphenyl)phenyl]phenanthrene?
The InChIKey is GTLYYVLQRCAZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-19-14-16-20(17-15-19)22-9-4-5-12-25(22)27-18-21-8-2-3-10-23(21)24-11-6-7-13-26(24)27/h2-18H,1H3.
What are the key properties of 9-[2-(4-methylphenyl)phenyl]phenanthrene?
9-[2-(4-methylphenyl)phenyl]phenanthrene has a molecular weight of 344.46 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methylphenyl)phenyl]phenanthrene is sourced from PubChem (CID 140958639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).