9-[2-(3-bromophenyl)phenyl]phenanthrene

C26H17Br — CID 144984920

IUPAC9-[2-(3-bromophenyl)phenyl]phenanthrene
SMILESBrc1cccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C26H17Br/c27-20-10-7-9-18(16-20)21-12-3-4-14-24(21)26-17-19-8-1-2-11-22(19)23-13-5-6-15-25(23)26/h1-17H
InChIKeyFPJKQHSANDXBRP-UHFFFAOYSA-N
MW409.33 g/mol
LogP8.09
Rot. Bonds2

About 9-[2-(3-bromophenyl)phenyl]phenanthrene

9-[2-(3-bromophenyl)phenyl]phenanthrene (PubChem CID 144984920) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 9-[2-(3-bromophenyl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[2-(3-bromophenyl)phenyl]phenanthrene
PubChem CID144984920
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name9-[2-(3-bromophenyl)phenyl]phenanthrene
SMILESBrc1cccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C26H17Br/c27-20-10-7-9-18(16-20)21-12-3-4-14-24(21)26-17-19-8-1-2-11-22(19)23-13-5-6-15-25(23)26/h1-17H
InChIKeyFPJKQHSANDXBRP-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 58.09
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-(3-bromophenyl)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-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
9-(2-bromo-3-chlorophenyl)phenanthrene
CID 177274939
9-naphthalen-1-ylphenanthrene
CID 20606742
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
3-(3-bromophenyl)phenanthrene
CID 58194169
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
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
1-(3-bromophenyl)-3-methylisoquinoline
CID 170562488
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463599

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-bromophenyl)phenyl]phenanthrene?
The IUPAC name of 9-[2-(3-bromophenyl)phenyl]phenanthrene (CID 144984920) is 9-[2-(3-bromophenyl)phenyl]phenanthrene.
What is the SMILES notation for 9-[2-(3-bromophenyl)phenyl]phenanthrene?
The canonical SMILES for 9-[2-(3-bromophenyl)phenyl]phenanthrene is Brc1cccc(-c2ccccc2-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 9-[2-(3-bromophenyl)phenyl]phenanthrene?
The InChIKey is FPJKQHSANDXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-20-10-7-9-18(16-20)21-12-3-4-14-24(21)26-17-19-8-1-2-11-22(19)23-13-5-6-15-25(23)26/h1-17H.
What are the key properties of 9-[2-(3-bromophenyl)phenyl]phenanthrene?
9-[2-(3-bromophenyl)phenyl]phenanthrene has a molecular weight of 409.33 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-bromophenyl)phenyl]phenanthrene is sourced from PubChem (CID 144984920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).