4-(2-phenylbut-1-enyl)-1-tritylimidazole

C32H28N2 — CID 66625783

IUPAC4-(2-phenylbut-1-enyl)-1-tritylimidazole
SMILESCCC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C32H28N2/c1-2-26(27-15-7-3-8-16-27)23-31-24-34(25-33-31)32(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,2H2,1H3
InChIKeyWUNCNRPCDJSLBX-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.67
Rot. Bonds7

About 4-(2-phenylbut-1-enyl)-1-tritylimidazole

4-(2-phenylbut-1-enyl)-1-tritylimidazole (PubChem CID 66625783) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-(2-phenylbut-1-enyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(2-phenylbut-1-enyl)-1-tritylimidazole
PubChem CID66625783
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name4-(2-phenylbut-1-enyl)-1-tritylimidazole
SMILESCCC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C32H28N2/c1-2-26(27-15-7-3-8-16-27)23-31-24-34(25-33-31)32(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,2H2,1H3
InChIKeyWUNCNRPCDJSLBX-UHFFFAOYSA-N
XLogP7.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylbut-1-enyl)-1-tritylimidazole?
The IUPAC name of 4-(2-phenylbut-1-enyl)-1-tritylimidazole (CID 66625783) is 4-(2-phenylbut-1-enyl)-1-tritylimidazole.
What is the SMILES notation for 4-(2-phenylbut-1-enyl)-1-tritylimidazole?
The canonical SMILES for 4-(2-phenylbut-1-enyl)-1-tritylimidazole is CCC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 4-(2-phenylbut-1-enyl)-1-tritylimidazole?
The InChIKey is WUNCNRPCDJSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-2-26(27-15-7-3-8-16-27)23-31-24-34(25-33-31)32(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,2H2,1H3.
What are the key properties of 4-(2-phenylbut-1-enyl)-1-tritylimidazole?
4-(2-phenylbut-1-enyl)-1-tritylimidazole has a molecular weight of 440.59 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylbut-1-enyl)-1-tritylimidazole is sourced from PubChem (CID 66625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).