1,3,5-tris(3,5-dibromophenyl)benzene

C24H12Br6 — CID 591077

IUPAC1,3,5-tris(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2cc(-c3cc(Br)cc(Br)c3)cc(-c3cc(Br)cc(Br)c3)c2)c1
InChIInChI=1S/C24H12Br6/c25-19-4-16(5-20(26)10-19)13-1-14(17-6-21(27)11-22(28)7-17)3-15(2-13)18-8-23(29)12-24(30)9-18/h1-12H
InChIKeyVBMGLVNBADCRDN-UHFFFAOYSA-N
MW779.78 g/mol
LogP11.26
Rot. Bonds3

About 1,3,5-tris(3,5-dibromophenyl)benzene

1,3,5-tris(3,5-dibromophenyl)benzene (PubChem CID 591077) has the molecular formula C24H12Br6 and a molecular weight of 779.78 g/mol. Its IUPAC name is 1,3,5-tris(3,5-dibromophenyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(3,5-dibromophenyl)benzene
PubChem CID591077
Molecular FormulaC24H12Br6
Molecular Weight779.78 g/mol
Exact Mass773.60
IUPAC Name1,3,5-tris(3,5-dibromophenyl)benzene
SMILESBrc1cc(Br)cc(-c2cc(-c3cc(Br)cc(Br)c3)cc(-c3cc(Br)cc(Br)c3)c2)c1
InChIInChI=1S/C24H12Br6/c25-19-4-16(5-20(26)10-19)13-1-14(17-6-21(27)11-22(28)7-17)3-15(2-13)18-8-23(29)12-24(30)9-18/h1-12H
InChIKeyVBMGLVNBADCRDN-UHFFFAOYSA-N
XLogP11.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.78
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3,5-dibromophenyl)benzene?
The IUPAC name of 1,3,5-tris(3,5-dibromophenyl)benzene (CID 591077) is 1,3,5-tris(3,5-dibromophenyl)benzene.
What is the SMILES notation for 1,3,5-tris(3,5-dibromophenyl)benzene?
The canonical SMILES for 1,3,5-tris(3,5-dibromophenyl)benzene is Brc1cc(Br)cc(-c2cc(-c3cc(Br)cc(Br)c3)cc(-c3cc(Br)cc(Br)c3)c2)c1.
What is the InChIKey of 1,3,5-tris(3,5-dibromophenyl)benzene?
The InChIKey is VBMGLVNBADCRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Br6/c25-19-4-16(5-20(26)10-19)13-1-14(17-6-21(27)11-22(28)7-17)3-15(2-13)18-8-23(29)12-24(30)9-18/h1-12H.
What are the key properties of 1,3,5-tris(3,5-dibromophenyl)benzene?
1,3,5-tris(3,5-dibromophenyl)benzene has a molecular weight of 779.78 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3,5-dibromophenyl)benzene is sourced from PubChem (CID 591077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).