(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol

C31H26N2O — CID 130300555

IUPAC(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26N2O/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/h1-22,24,34H,23H2/b26-21+
InChIKeyGMUDWNNEEOZKEQ-YYADALCUSA-N
MW442.56 g/mol
LogP6.26
Rot. Bonds7

About (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol

(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 130300555) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
PubChem CID130300555
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26N2O/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/h1-22,24,34H,23H2/b26-21+
InChIKeyGMUDWNNEEOZKEQ-YYADALCUSA-N
XLogP6.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300340
2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300341
bis(3-tritylimidazol-4-yl)methanone
CID 174611093
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-(3-tritylimidazol-4-yl)propan-1-amine
CID 169163524
2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
CID 54284261
6-(3-tritylimidazol-4-yl)hexanoic acid
CID 164717420
4-(2-phenylbut-1-enyl)-1-tritylimidazole
CID 66625783
2-(cyclopropylmethyl)-3-oxo-3-(3-tritylimidazol-4-yl)propanal
CID 54534419
(1-tritylimidazol-2-yl)methanol
CID 11131622

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol (CID 130300555) is (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol is OC/C(=C\c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is GMUDWNNEEOZKEQ-YYADALCUSA-N. The full InChI is InChI=1S/C31H26N2O/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/h1-22,24,34H,23H2/b26-21+.
What are the key properties of (Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 442.56 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 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-en-1-ol is sourced from PubChem (CID 130300555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).