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

C25H18Br2 — CID 22630429

IUPAC1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene
SMILESBrc1ccc(-c2ccccc2Cc2ccccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H18Br2/c26-22-13-9-18(10-14-22)24-7-3-1-5-20(24)17-21-6-2-4-8-25(21)19-11-15-23(27)16-12-19/h1-16H,17H2
InChIKeyXYKPWFZBEUIJGW-UHFFFAOYSA-N
MW478.23 g/mol
LogP8.14
Rot. Bonds4

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

1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene (PubChem CID 22630429) has the molecular formula C25H18Br2 and a molecular weight of 478.23 g/mol. Its IUPAC name is 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene
PubChem CID22630429
Molecular FormulaC25H18Br2
Molecular Weight478.23 g/mol
Exact Mass475.98
IUPAC Name1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene
SMILESBrc1ccc(-c2ccccc2Cc2ccccc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H18Br2/c26-22-13-9-18(10-14-22)24-7-3-1-5-20(24)17-21-6-2-4-8-25(21)19-11-15-23(27)16-12-19/h1-16H,17H2
InChIKeyXYKPWFZBEUIJGW-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.23
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene?
The IUPAC name of 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene (CID 22630429) is 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene?
The canonical SMILES for 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene is Brc1ccc(-c2ccccc2Cc2ccccc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene?
The InChIKey is XYKPWFZBEUIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Br2/c26-22-13-9-18(10-14-22)24-7-3-1-5-20(24)17-21-6-2-4-8-25(21)19-11-15-23(27)16-12-19/h1-16H,17H2.
What are the key properties of 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene?
1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene has a molecular weight of 478.23 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene is sourced from PubChem (CID 22630429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).