1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene

C30H28Br2 — CID 71134575

IUPAC1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene
SMILESCC(C)CC(C)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H28Br2/c1-21(2)20-30(3,26-12-4-22(5-13-26)24-8-16-28(31)17-9-24)27-14-6-23(7-15-27)25-10-18-29(32)19-11-25/h4-19,21H,20H2,1-3H3
InChIKeyNHRLVEDGTMMMRK-UHFFFAOYSA-N
MW548.36 g/mol
LogP9.90
Rot. Bonds6

About 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene

1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene (PubChem CID 71134575) has the molecular formula C30H28Br2 and a molecular weight of 548.36 g/mol. Its IUPAC name is 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene
PubChem CID71134575
Molecular FormulaC30H28Br2
Molecular Weight548.36 g/mol
Exact Mass546.06
IUPAC Name1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene
SMILESCC(C)CC(C)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H28Br2/c1-21(2)20-30(3,26-12-4-22(5-13-26)24-8-16-28(31)17-9-24)27-14-6-23(7-15-27)25-10-18-29(32)19-11-25/h4-19,21H,20H2,1-3H3
InChIKeyNHRLVEDGTMMMRK-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.36
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]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-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene (CID 71134575) is 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene is CC(C)CC(C)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene?
The InChIKey is NHRLVEDGTMMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Br2/c1-21(2)20-30(3,26-12-4-22(5-13-26)24-8-16-28(31)17-9-24)27-14-6-23(7-15-27)25-10-18-29(32)19-11-25/h4-19,21H,20H2,1-3H3.
What are the key properties of 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene?
1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene has a molecular weight of 548.36 g/mol, XLogP of 9.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene is sourced from PubChem (CID 71134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).