(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile

C55H39N — CID 122394128

IUPAC(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H39N/c56-40-51(42-35-37-50(38-36-42)55(48-29-17-6-18-30-48)53(45-23-11-3-12-24-45)46-25-13-4-14-26-46)39-41-31-33-49(34-32-41)54(47-27-15-5-16-28-47)52(43-19-7-1-8-20-43)44-21-9-2-10-22-44/h1-39H/b51-39+
InChIKeyLNGONCPKFGRGOG-DMRQBMQDSA-N
MW713.92 g/mol
LogP13.77
Rot. Bonds10

About (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile

(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile (PubChem CID 122394128) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
PubChem CID122394128
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H39N/c56-40-51(42-35-37-50(38-36-42)55(48-29-17-6-18-30-48)53(45-23-11-3-12-24-45)46-25-13-4-14-26-46)39-41-31-33-49(34-32-41)54(47-27-15-5-16-28-47)52(43-19-7-1-8-20-43)44-21-9-2-10-22-44/h1-39H/b51-39+
InChIKeyLNGONCPKFGRGOG-DMRQBMQDSA-N
XLogP13.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
CID 76517334
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
CID 132937795
(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
CID 157252511
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile (CID 122394128) is (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile is N#C/C(=C\c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile?
The InChIKey is LNGONCPKFGRGOG-DMRQBMQDSA-N. The full InChI is InChI=1S/C55H39N/c56-40-51(42-35-37-50(38-36-42)55(48-29-17-6-18-30-48)53(45-23-11-3-12-24-45)46-25-13-4-14-26-46)39-41-31-33-49(34-32-41)54(47-27-15-5-16-28-47)52(43-19-7-1-8-20-43)44-21-9-2-10-22-44/h1-39H/b51-39+.
What are the key properties of (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile?
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile has a molecular weight of 713.92 g/mol, XLogP of 13.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 122394128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).