2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile

C24H12Cl4N2 — CID 4089006

IUPAC2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H12Cl4N2/c25-21-7-1-15(11-23(21)27)9-19(13-29)17-3-5-18(6-4-17)20(14-30)10-16-2-8-22(26)24(28)12-16/h1-12H
InChIKeyFFYJSNGBGREIBE-UHFFFAOYSA-N
MW470.19 g/mol
LogP8.43
Rot. Bonds4

About 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile

2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile (PubChem CID 4089006) has the molecular formula C24H12Cl4N2 and a molecular weight of 470.19 g/mol. Its IUPAC name is 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
PubChem CID4089006
Molecular FormulaC24H12Cl4N2
Molecular Weight470.19 g/mol
Exact Mass467.98
IUPAC Name2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H12Cl4N2/c25-21-7-1-15(11-23(21)27)9-19(13-29)17-3-5-18(6-4-17)20(14-30)10-16-2-8-22(26)24(28)12-16/h1-12H
InChIKeyFFYJSNGBGREIBE-UHFFFAOYSA-N
XLogP8.43
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.19
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
3-(1,3-benzodioxol-5-yl)-2-(3,4-dichlorophenyl)prop-2-enenitrile
CID 2959134
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
(E)-3-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 5378071
2-(4-bromophenyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
CID 2889535
(Z)-2-(4-bromophenyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
CID 2271361
(Z)-2-(4-chlorophenyl)-3-(3-chloro-4-propan-2-yloxyphenyl)prop-2-enenitrile
CID 2202448
(Z)-2-(3,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 12043333
(E)-2-(bromomethyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 101407941
[3-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenyl] 3,4-dichlorobenzoate
CID 39115430
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile?
The IUPAC name of 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile (CID 4089006) is 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile.
What is the SMILES notation for 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile?
The canonical SMILES for 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile is N#CC(=Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C#N)=Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile?
The InChIKey is FFYJSNGBGREIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4N2/c25-21-7-1-15(11-23(21)27)9-19(13-29)17-3-5-18(6-4-17)20(14-30)10-16-2-8-22(26)24(28)12-16/h1-12H.
What are the key properties of 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile?
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile has a molecular weight of 470.19 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 4089006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).