1,2-bis(3-bromophenyl)-3-ethenylbenzene

C20H14Br2 — CID 57325808

IUPAC1,2-bis(3-bromophenyl)-3-ethenylbenzene
SMILESC=Cc1cccc(-c2cccc(Br)c2)c1-c1cccc(Br)c1
InChIInChI=1S/C20H14Br2/c1-2-14-6-5-11-19(15-7-3-9-17(21)12-15)20(14)16-8-4-10-18(22)13-16/h2-13H,1H2
InChIKeyPGDYDXLKBWJRAS-UHFFFAOYSA-N
MW414.14 g/mol
LogP7.19
Rot. Bonds3

About 1,2-bis(3-bromophenyl)-3-ethenylbenzene

1,2-bis(3-bromophenyl)-3-ethenylbenzene (PubChem CID 57325808) has the molecular formula C20H14Br2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 1,2-bis(3-bromophenyl)-3-ethenylbenzene.

Molecular Properties

Compound Name1,2-bis(3-bromophenyl)-3-ethenylbenzene
PubChem CID57325808
Molecular FormulaC20H14Br2
Molecular Weight414.14 g/mol
Exact Mass411.95
IUPAC Name1,2-bis(3-bromophenyl)-3-ethenylbenzene
SMILESC=Cc1cccc(-c2cccc(Br)c2)c1-c1cccc(Br)c1
InChIInChI=1S/C20H14Br2/c1-2-14-6-5-11-19(15-7-3-9-17(21)12-15)20(14)16-8-4-10-18(22)13-16/h2-13H,1H2
InChIKeyPGDYDXLKBWJRAS-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-bromophenyl)-3-ethenylbenzene?
The IUPAC name of 1,2-bis(3-bromophenyl)-3-ethenylbenzene (CID 57325808) is 1,2-bis(3-bromophenyl)-3-ethenylbenzene.
What is the SMILES notation for 1,2-bis(3-bromophenyl)-3-ethenylbenzene?
The canonical SMILES for 1,2-bis(3-bromophenyl)-3-ethenylbenzene is C=Cc1cccc(-c2cccc(Br)c2)c1-c1cccc(Br)c1.
What is the InChIKey of 1,2-bis(3-bromophenyl)-3-ethenylbenzene?
The InChIKey is PGDYDXLKBWJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2/c1-2-14-6-5-11-19(15-7-3-9-17(21)12-15)20(14)16-8-4-10-18(22)13-16/h2-13H,1H2.
What are the key properties of 1,2-bis(3-bromophenyl)-3-ethenylbenzene?
1,2-bis(3-bromophenyl)-3-ethenylbenzene has a molecular weight of 414.14 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-bromophenyl)-3-ethenylbenzene is sourced from PubChem (CID 57325808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).