9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene

C32H21Cl — CID 177274892

IUPAC9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene
SMILESClc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C32H21Cl/c33-31-19-9-18-27(24-14-8-13-23(20-24)22-10-2-1-3-11-22)32(31)30-21-25-12-4-5-15-26(25)28-16-6-7-17-29(28)30/h1-21H
InChIKeyHNHUBXRBHORSCV-UHFFFAOYSA-N
MW440.97 g/mol
LogP9.65
Rot. Bonds3

About 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene

9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene (PubChem CID 177274892) has the molecular formula C32H21Cl and a molecular weight of 440.97 g/mol. Its IUPAC name is 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene
PubChem CID177274892
Molecular FormulaC32H21Cl
Molecular Weight440.97 g/mol
Exact Mass440.13
IUPAC Name9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene
SMILESClc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C32H21Cl/c33-31-19-9-18-27(24-14-8-13-23(20-24)22-10-2-1-3-11-22)32(31)30-21-25-12-4-5-15-26(25)28-16-6-7-17-29(28)30/h1-21H
InChIKeyHNHUBXRBHORSCV-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 59.65
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-chloro-6-(3-phenylphenyl)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

10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397

Frequently Asked Questions

What is the IUPAC name of 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene?
The IUPAC name of 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene (CID 177274892) is 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene.
What is the SMILES notation for 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene?
The canonical SMILES for 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene is Clc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene?
The InChIKey is HNHUBXRBHORSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl/c33-31-19-9-18-27(24-14-8-13-23(20-24)22-10-2-1-3-11-22)32(31)30-21-25-12-4-5-15-26(25)28-16-6-7-17-29(28)30/h1-21H.
What are the key properties of 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene?
9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene has a molecular weight of 440.97 g/mol, XLogP of 9.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene is sourced from PubChem (CID 177274892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).