1-bromo-4-(3-phenylphenyl)benzene

C18H13Br — CID 14452534

IUPAC1-bromo-4-(3-phenylphenyl)benzene
SMILESBrc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H
InChIKeyXWHCOAVJEOENNM-UHFFFAOYSA-N
MW309.21 g/mol
LogP5.78
Rot. Bonds2

About 1-bromo-4-(3-phenylphenyl)benzene

1-bromo-4-(3-phenylphenyl)benzene (PubChem CID 14452534) has the molecular formula C18H13Br and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-bromo-4-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-phenylphenyl)benzene
PubChem CID14452534
Molecular FormulaC18H13Br
Molecular Weight309.21 g/mol
Exact Mass308.02
IUPAC Name1-bromo-4-(3-phenylphenyl)benzene
SMILESBrc1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H
InChIKeyXWHCOAVJEOENNM-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.21
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-phenylphenyl)benzene?
The IUPAC name of 1-bromo-4-(3-phenylphenyl)benzene (CID 14452534) is 1-bromo-4-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-phenylphenyl)benzene?
The canonical SMILES for 1-bromo-4-(3-phenylphenyl)benzene is Brc1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-bromo-4-(3-phenylphenyl)benzene?
The InChIKey is XWHCOAVJEOENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H.
What are the key properties of 1-bromo-4-(3-phenylphenyl)benzene?
1-bromo-4-(3-phenylphenyl)benzene has a molecular weight of 309.21 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-phenylphenyl)benzene is sourced from PubChem (CID 14452534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).