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

C24H16Br2 — CID 59775505

IUPAC1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H16Br2/c25-23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(26)16-12-22/h1-16H
InChIKeyMRLYEBNQLYOOHV-UHFFFAOYSA-N
MW464.20 g/mol
LogP8.21
Rot. Bonds3

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

1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene (PubChem CID 59775505) has the molecular formula C24H16Br2 and a molecular weight of 464.20 g/mol. Its IUPAC name is 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
PubChem CID59775505
Molecular FormulaC24H16Br2
Molecular Weight464.20 g/mol
Exact Mass461.96
IUPAC Name1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H16Br2/c25-23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(26)16-12-22/h1-16H
InChIKeyMRLYEBNQLYOOHV-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.20
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene (CID 59775505) is 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene is Brc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene?
The InChIKey is MRLYEBNQLYOOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2/c25-23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(26)16-12-22/h1-16H.
What are the key properties of 1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene?
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene has a molecular weight of 464.20 g/mol, XLogP of 8.21, 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-[4-(4-bromophenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 59775505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).