(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal

C31H24N2O — CID 130300340

IUPAC(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
SMILESO=C/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N2O/c34-23-26(25-13-5-1-6-14-25)21-30-22-32-24-33(30)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b26-21+
InChIKeyMNCNULSATATHGS-YYADALCUSA-N
MW440.55 g/mol
LogP6.46
Rot. Bonds7

About (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal

(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal (PubChem CID 130300340) has the molecular formula C31H24N2O and a molecular weight of 440.55 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
PubChem CID130300340
Molecular FormulaC31H24N2O
Molecular Weight440.55 g/mol
Exact Mass440.19
IUPAC Name(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
SMILESO=C/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N2O/c34-23-26(25-13-5-1-6-14-25)21-30-22-32-24-33(30)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b26-21+
InChIKeyMNCNULSATATHGS-YYADALCUSA-N
XLogP6.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300341
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 130300555
bis(3-tritylimidazol-4-yl)methanone
CID 174611093
2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
CID 54284261
1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
CID 141040855
CID 59549293
CID 59549293
1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 166068296
2-(cyclopropylmethyl)-3-oxo-3-(3-tritylimidazol-4-yl)propanal
CID 54534419
3-chloro-2-phenylprop-2-enal
CID 85438099
2-phenylbut-2-enal;hydrate
CID 172778769
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 10584747
6-(3-tritylimidazol-4-yl)hexanoic acid
CID 164717420

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal?
The IUPAC name of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal (CID 130300340) is (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal?
The canonical SMILES for (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal is O=C/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal?
The InChIKey is MNCNULSATATHGS-YYADALCUSA-N. The full InChI is InChI=1S/C31H24N2O/c34-23-26(25-13-5-1-6-14-25)21-30-22-32-24-33(30)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b26-21+.
What are the key properties of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal?
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal has a molecular weight of 440.55 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal is sourced from PubChem (CID 130300340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).