3-(4-bromophenyl)phenanthrene

C20H13Br — CID 58038107

IUPAC3-(4-bromophenyl)phenanthrene
SMILESBrc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C20H13Br/c21-18-11-9-14(10-12-18)17-8-7-16-6-5-15-3-1-2-4-19(15)20(16)13-17/h1-13H
InChIKeyYHHBIWOPSALNTO-UHFFFAOYSA-N
MW333.23 g/mol
LogP6.42
Rot. Bonds1

About 3-(4-bromophenyl)phenanthrene

3-(4-bromophenyl)phenanthrene (PubChem CID 58038107) has the molecular formula C20H13Br and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)phenanthrene.

Molecular Properties

Compound Name3-(4-bromophenyl)phenanthrene
PubChem CID58038107
Molecular FormulaC20H13Br
Molecular Weight333.23 g/mol
Exact Mass332.02
IUPAC Name3-(4-bromophenyl)phenanthrene
SMILESBrc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C20H13Br/c21-18-11-9-14(10-12-18)17-8-7-16-6-5-15-3-1-2-4-19(15)20(16)13-17/h1-13H
InChIKeyYHHBIWOPSALNTO-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 56.42
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

3-(3-bromophenyl)phenanthrene
CID 58194169
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
3-(4-bromophenyl)benzo[f]chromen-4-ium
CID 146048366

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)phenanthrene?
The IUPAC name of 3-(4-bromophenyl)phenanthrene (CID 58038107) is 3-(4-bromophenyl)phenanthrene.
What is the SMILES notation for 3-(4-bromophenyl)phenanthrene?
The canonical SMILES for 3-(4-bromophenyl)phenanthrene is Brc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)phenanthrene?
The InChIKey is YHHBIWOPSALNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br/c21-18-11-9-14(10-12-18)17-8-7-16-6-5-15-3-1-2-4-19(15)20(16)13-17/h1-13H.
What are the key properties of 3-(4-bromophenyl)phenanthrene?
3-(4-bromophenyl)phenanthrene has a molecular weight of 333.23 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)phenanthrene is sourced from PubChem (CID 58038107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).