2-(5-bromo-2-chlorophenyl)phenanthrene

C20H12BrCl — CID 167303634

IUPAC2-(5-bromo-2-chlorophenyl)phenanthrene
SMILESClc1ccc(Br)cc1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C20H12BrCl/c21-16-8-10-20(22)19(12-16)15-7-9-18-14(11-15)6-5-13-3-1-2-4-17(13)18/h1-12H
InChIKeyCCZZVZDXMUNPMD-UHFFFAOYSA-N
MW367.67 g/mol
LogP7.08
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)phenanthrene

2-(5-bromo-2-chlorophenyl)phenanthrene (PubChem CID 167303634) has the molecular formula C20H12BrCl and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)phenanthrene.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)phenanthrene
PubChem CID167303634
Molecular FormulaC20H12BrCl
Molecular Weight367.67 g/mol
Exact Mass365.98
IUPAC Name2-(5-bromo-2-chlorophenyl)phenanthrene
SMILESClc1ccc(Br)cc1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C20H12BrCl/c21-16-8-10-20(22)19(12-16)15-7-9-18-14(11-15)6-5-13-3-1-2-4-17(13)18/h1-12H
InChIKeyCCZZVZDXMUNPMD-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

2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
CID 142720539
3-(4-chloronaphthalen-1-yl)phenanthrene
CID 177271223
2-naphthalen-2-ylphenanthrene
CID 90738367
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
3-(4-bromophenyl)phenanthrene
CID 58038107
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2,6-dibromonaphthalene;phenanthren-9-ylboronic acid;9-(6-phenanthren-9-ylnaphthalen-2-yl)phenanthrene
CID 158359204
9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene
CID 146478399
3-bromo-2-chlorophenanthrene
CID 166845355
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)phenanthrene?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)phenanthrene (CID 167303634) is 2-(5-bromo-2-chlorophenyl)phenanthrene.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)phenanthrene?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)phenanthrene is Clc1ccc(Br)cc1-c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)phenanthrene?
The InChIKey is CCZZVZDXMUNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl/c21-16-8-10-20(22)19(12-16)15-7-9-18-14(11-15)6-5-13-3-1-2-4-17(13)18/h1-12H.
What are the key properties of 2-(5-bromo-2-chlorophenyl)phenanthrene?
2-(5-bromo-2-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 2-(5-bromo-2-chlorophenyl)phenanthrene is sourced from PubChem (CID 167303634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).