1,3-bis(4-bromophenyl)benzene

C18H12Br2 — CID 10667976

IUPAC1,3-bis(4-bromophenyl)benzene
SMILESBrc1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H12Br2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12H
InChIKeyXYRNOZKOAZFOOG-UHFFFAOYSA-N
MW388.10 g/mol
LogP6.55
Rot. Bonds2

About 1,3-bis(4-bromophenyl)benzene

1,3-bis(4-bromophenyl)benzene (PubChem CID 10667976) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)benzene.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)benzene
PubChem CID10667976
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name1,3-bis(4-bromophenyl)benzene
SMILESBrc1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H12Br2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12H
InChIKeyXYRNOZKOAZFOOG-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.10
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)benzene?
The IUPAC name of 1,3-bis(4-bromophenyl)benzene (CID 10667976) is 1,3-bis(4-bromophenyl)benzene.
What is the SMILES notation for 1,3-bis(4-bromophenyl)benzene?
The canonical SMILES for 1,3-bis(4-bromophenyl)benzene is Brc1ccc(-c2cccc(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)benzene?
The InChIKey is XYRNOZKOAZFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12H.
What are the key properties of 1,3-bis(4-bromophenyl)benzene?
1,3-bis(4-bromophenyl)benzene has a molecular weight of 388.10 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)benzene is sourced from PubChem (CID 10667976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).