2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole

C30H22N4 — CID 91123097

IUPAC2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole
SMILESC1=NC(c2ccccc2)(n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)N=C1
InChIInChI=1S/C30H22N4/c1-5-13-23(14-6-1)27-28(24-15-7-2-8-16-24)34(29(33-27)25-17-9-3-10-18-25)30(31-21-22-32-30)26-19-11-4-12-20-26/h1-22H
InChIKeyREHUMQSABASCNW-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.70
Rot. Bonds5

About 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole

2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole (PubChem CID 91123097) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole
PubChem CID91123097
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole
SMILESC1=NC(c2ccccc2)(n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)N=C1
InChIInChI=1S/C30H22N4/c1-5-13-23(14-6-1)27-28(24-15-7-2-8-16-24)34(29(33-27)25-17-9-3-10-18-25)30(31-21-22-32-30)26-19-11-4-12-20-26/h1-22H
InChIKeyREHUMQSABASCNW-UHFFFAOYSA-N
XLogP6.70
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole?
The IUPAC name of 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole (CID 91123097) is 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole.
What is the SMILES notation for 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole?
The canonical SMILES for 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole is C1=NC(c2ccccc2)(n2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)N=C1.
What is the InChIKey of 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole?
The InChIKey is REHUMQSABASCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-5-13-23(14-6-1)27-28(24-15-7-2-8-16-24)34(29(33-27)25-17-9-3-10-18-25)30(31-21-22-32-30)26-19-11-4-12-20-26/h1-22H.
What are the key properties of 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole?
2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole has a molecular weight of 438.53 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole is sourced from PubChem (CID 91123097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).