1-bromo-4-(4-methylphenyl)-2-phenylbenzene

C19H15Br — CID 70958469

IUPAC1-bromo-4-(4-methylphenyl)-2-phenylbenzene
SMILESCc1ccc(-c2ccc(Br)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H15Br/c1-14-7-9-15(10-8-14)17-11-12-19(20)18(13-17)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyKPVCCSZGZKRKOQ-UHFFFAOYSA-N
MW323.23 g/mol
LogP6.09
Rot. Bonds2

About 1-bromo-4-(4-methylphenyl)-2-phenylbenzene

1-bromo-4-(4-methylphenyl)-2-phenylbenzene (PubChem CID 70958469) has the molecular formula C19H15Br and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-bromo-4-(4-methylphenyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-methylphenyl)-2-phenylbenzene
PubChem CID70958469
Molecular FormulaC19H15Br
Molecular Weight323.23 g/mol
Exact Mass322.04
IUPAC Name1-bromo-4-(4-methylphenyl)-2-phenylbenzene
SMILESCc1ccc(-c2ccc(Br)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H15Br/c1-14-7-9-15(10-8-14)17-11-12-19(20)18(13-17)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyKPVCCSZGZKRKOQ-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.23
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1,4-dibromo-2-(4-methylphenyl)benzene
CID 18458568
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
CID 150910002
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
CID 175787735
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-methylphenyl)-2-phenylbenzene?
The IUPAC name of 1-bromo-4-(4-methylphenyl)-2-phenylbenzene (CID 70958469) is 1-bromo-4-(4-methylphenyl)-2-phenylbenzene.
What is the SMILES notation for 1-bromo-4-(4-methylphenyl)-2-phenylbenzene?
The canonical SMILES for 1-bromo-4-(4-methylphenyl)-2-phenylbenzene is Cc1ccc(-c2ccc(Br)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-bromo-4-(4-methylphenyl)-2-phenylbenzene?
The InChIKey is KPVCCSZGZKRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br/c1-14-7-9-15(10-8-14)17-11-12-19(20)18(13-17)16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 1-bromo-4-(4-methylphenyl)-2-phenylbenzene?
1-bromo-4-(4-methylphenyl)-2-phenylbenzene has a molecular weight of 323.23 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-methylphenyl)-2-phenylbenzene is sourced from PubChem (CID 70958469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).