9-(2-bromo-3-chlorophenyl)phenanthrene

C20H12BrCl — CID 177274939

IUPAC9-(2-bromo-3-chlorophenyl)phenanthrene
SMILESClc1cccc(-c2cc3ccccc3c3ccccc23)c1Br
InChIInChI=1S/C20H12BrCl/c21-20-17(10-5-11-19(20)22)18-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)18/h1-12H
InChIKeyFABZRISESKRFMI-UHFFFAOYSA-N
MW367.67 g/mol
LogP7.08
Rot. Bonds1

About 9-(2-bromo-3-chlorophenyl)phenanthrene

9-(2-bromo-3-chlorophenyl)phenanthrene (PubChem CID 177274939) has the molecular formula C20H12BrCl and a molecular weight of 367.67 g/mol. Its IUPAC name is 9-(2-bromo-3-chlorophenyl)phenanthrene.

Molecular Properties

Compound Name9-(2-bromo-3-chlorophenyl)phenanthrene
PubChem CID177274939
Molecular FormulaC20H12BrCl
Molecular Weight367.67 g/mol
Exact Mass365.98
IUPAC Name9-(2-bromo-3-chlorophenyl)phenanthrene
SMILESClc1cccc(-c2cc3ccccc3c3ccccc23)c1Br
InChIInChI=1S/C20H12BrCl/c21-20-17(10-5-11-19(20)22)18-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)18/h1-12H
InChIKeyFABZRISESKRFMI-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
9-naphthalen-1-ylphenanthrene
CID 20606742
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
2-bromo-1-(2-bromophenyl)-3-chlorobenzene
CID 175669907
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-bromo-1-chloroanthracene
CID 165359177
10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
9-[2-chloro-6-(3-phenylphenyl)phenyl]phenanthrene
CID 177274892
10-chlorobenzo[b]triphenylene
CID 15449469
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-3-chlorophenyl)phenanthrene?
The IUPAC name of 9-(2-bromo-3-chlorophenyl)phenanthrene (CID 177274939) is 9-(2-bromo-3-chlorophenyl)phenanthrene.
What is the SMILES notation for 9-(2-bromo-3-chlorophenyl)phenanthrene?
The canonical SMILES for 9-(2-bromo-3-chlorophenyl)phenanthrene is Clc1cccc(-c2cc3ccccc3c3ccccc23)c1Br.
What is the InChIKey of 9-(2-bromo-3-chlorophenyl)phenanthrene?
The InChIKey is FABZRISESKRFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl/c21-20-17(10-5-11-19(20)22)18-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)18/h1-12H.
What are the key properties of 9-(2-bromo-3-chlorophenyl)phenanthrene?
9-(2-bromo-3-chlorophenyl)phenanthrene has a molecular weight of 367.67 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-3-chlorophenyl)phenanthrene is sourced from PubChem (CID 177274939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).