1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene

C27H23Br — CID 144705037

IUPAC1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
SMILESBrc1ccc(CCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23Br/c28-26-18-11-21(12-19-26)13-20-27(24-9-5-2-6-10-24)25-16-14-23(15-17-25)22-7-3-1-4-8-22/h1-12,14-19,27H,13,20H2
InChIKeyNNLPDSTZTDMFMJ-UHFFFAOYSA-N
MW427.39 g/mol
LogP7.88
Rot. Bonds6

About 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene

1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene (PubChem CID 144705037) has the molecular formula C27H23Br and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
PubChem CID144705037
Molecular FormulaC27H23Br
Molecular Weight427.39 g/mol
Exact Mass426.10
IUPAC Name1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
SMILESBrc1ccc(CCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23Br/c28-26-18-11-21(12-19-26)13-20-27(24-9-5-2-6-10-24)25-16-14-23(15-17-25)22-7-3-1-4-8-22/h1-12,14-19,27H,13,20H2
InChIKeyNNLPDSTZTDMFMJ-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.39
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene?
The IUPAC name of 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene (CID 144705037) is 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene.
What is the SMILES notation for 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene?
The canonical SMILES for 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene is Brc1ccc(CCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene?
The InChIKey is NNLPDSTZTDMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Br/c28-26-18-11-21(12-19-26)13-20-27(24-9-5-2-6-10-24)25-16-14-23(15-17-25)22-7-3-1-4-8-22/h1-12,14-19,27H,13,20H2.
What are the key properties of 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene?
1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene has a molecular weight of 427.39 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene is sourced from PubChem (CID 144705037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).