4,5-diphenyl-1-tritylimidazole

C34H26N2 — CID 4180439

IUPAC4,5-diphenyl-1-tritylimidazole
SMILESc1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H26N2/c1-6-16-27(17-7-1)32-33(28-18-8-2-9-19-28)36(26-35-32)34(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKeyLGEQKBQDFVOESR-UHFFFAOYSA-N
MW462.60 g/mol
LogP8.06
Rot. Bonds6

About 4,5-diphenyl-1-tritylimidazole

4,5-diphenyl-1-tritylimidazole (PubChem CID 4180439) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4,5-diphenyl-1-tritylimidazole.

Molecular Properties

Compound Name4,5-diphenyl-1-tritylimidazole
PubChem CID4180439
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name4,5-diphenyl-1-tritylimidazole
SMILESc1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C34H26N2/c1-6-16-27(17-7-1)32-33(28-18-8-2-9-19-28)36(26-35-32)34(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H
InChIKeyLGEQKBQDFVOESR-UHFFFAOYSA-N
XLogP8.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 58.06
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 4,5-diphenyl-1-tritylimidazole?
The IUPAC name of 4,5-diphenyl-1-tritylimidazole (CID 4180439) is 4,5-diphenyl-1-tritylimidazole.
What is the SMILES notation for 4,5-diphenyl-1-tritylimidazole?
The canonical SMILES for 4,5-diphenyl-1-tritylimidazole is c1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1-tritylimidazole?
The InChIKey is LGEQKBQDFVOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-6-16-27(17-7-1)32-33(28-18-8-2-9-19-28)36(26-35-32)34(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H.
What are the key properties of 4,5-diphenyl-1-tritylimidazole?
4,5-diphenyl-1-tritylimidazole has a molecular weight of 462.60 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-tritylimidazole is sourced from PubChem (CID 4180439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).