1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene

C20H14BrCl — CID 6509575

IUPAC1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
SMILESClc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14BrCl/c21-20(17-9-5-2-6-10-17)19(15-7-3-1-4-8-15)16-11-13-18(22)14-12-16/h1-14H/b20-19-
InChIKeyRKOAUGLLPKMQQD-VXPUYCOJSA-N
MW369.69 g/mol
LogP6.65
Rot. Bonds3

About 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene

1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene (PubChem CID 6509575) has the molecular formula C20H14BrCl and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
PubChem CID6509575
Molecular FormulaC20H14BrCl
Molecular Weight369.69 g/mol
Exact Mass368.00
IUPAC Name1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
SMILESClc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14BrCl/c21-20(17-9-5-2-6-10-17)19(15-7-3-1-4-8-15)16-11-13-18(22)14-12-16/h1-14H/b20-19-
InChIKeyRKOAUGLLPKMQQD-VXPUYCOJSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-bromo-1,2-diphenylethenyl]-4-ethylbenzene
CID 3032769
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene
CID 138971079
4-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
CID 6380826
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
CID 134977772
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
CID 10801751
CID 10801751

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene (CID 6509575) is 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene is Clc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene?
The InChIKey is RKOAUGLLPKMQQD-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H14BrCl/c21-20(17-9-5-2-6-10-17)19(15-7-3-1-4-8-15)16-11-13-18(22)14-12-16/h1-14H/b20-19-.
What are the key properties of 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene?
1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene has a molecular weight of 369.69 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene is sourced from PubChem (CID 6509575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).