(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile

C30H21N3 — CID 139205580

IUPAC(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H21N3/c31-21-27(23-10-4-1-5-11-23)20-22-16-18-26(19-17-22)30-32-28(24-12-6-2-7-13-24)29(33-30)25-14-8-3-9-15-25/h1-20H,(H,32,33)/b27-20+
InChIKeyDNISPIOPLRBEBF-NHFJDJAPSA-N
MW423.52 g/mol
LogP7.47
Rot. Bonds5

About (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile

(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile (PubChem CID 139205580) has the molecular formula C30H21N3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile
PubChem CID139205580
Molecular FormulaC30H21N3
Molecular Weight423.52 g/mol
Exact Mass423.17
IUPAC Name(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H21N3/c31-21-27(23-10-4-1-5-11-23)20-22-16-18-26(19-17-22)30-32-28(24-12-6-2-7-13-24)29(33-30)25-14-8-3-9-15-25/h1-20H,(H,32,33)/b27-20+
InChIKeyDNISPIOPLRBEBF-NHFJDJAPSA-N
XLogP7.47
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-[4-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 177497739
(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
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189
4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 88936934
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile (CID 139205580) is (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile?
The InChIKey is DNISPIOPLRBEBF-NHFJDJAPSA-N. The full InChI is InChI=1S/C30H21N3/c31-21-27(23-10-4-1-5-11-23)20-22-16-18-26(19-17-22)30-32-28(24-12-6-2-7-13-24)29(33-30)25-14-8-3-9-15-25/h1-20H,(H,32,33)/b27-20+.
What are the key properties of (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile?
(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile has a molecular weight of 423.52 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 139205580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).