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

C24H23Br — CID 150910002

IUPAC1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
SMILESBrc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccccc1
InChIInChI=1S/C24H23Br/c25-24-16-15-22(17-23(24)21-9-5-2-6-10-21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2
InChIKeyLBUCCNOVNQYBMC-UHFFFAOYSA-N
MW391.35 g/mol
LogP7.83
Rot. Bonds3

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

1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene (PubChem CID 150910002) has the molecular formula C24H23Br and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
PubChem CID150910002
Molecular FormulaC24H23Br
Molecular Weight391.35 g/mol
Exact Mass390.10
IUPAC Name1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
SMILESBrc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccccc1
InChIInChI=1S/C24H23Br/c25-24-16-15-22(17-23(24)21-9-5-2-6-10-21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2
InChIKeyLBUCCNOVNQYBMC-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.35
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-Bromophenanthrene
CID 11309
6-Bromobenzo(a)pyrene
CID 30545
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1,3,5-Tri(4-bromophenyl)benzene
CID 232761
9-Bromo-10-phenyl-anthracene
CID 4155836
4-Bromo-p-terphenyl
CID 11012297
Tetrakis(4-bromophenyl)ethylene
CID 11828419
4,4''-Dibromo-p-terphenyl
CID 12455998
4-Bromo-4'-pentylbiphenyl
CID 618709
2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl
CID 292152
2,2'-Dibromo-1,1'-binaphthyl
CID 619909

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene?
The IUPAC name of 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene (CID 150910002) is 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene.
What is the SMILES notation for 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene?
The canonical SMILES for 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene is Brc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene?
The InChIKey is LBUCCNOVNQYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Br/c25-24-16-15-22(17-23(24)21-9-5-2-6-10-21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2.
What are the key properties of 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene?
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene has a molecular weight of 391.35 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene is sourced from PubChem (CID 150910002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).