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

C42H30N4 — CID 19020129

IUPAC1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
SMILESc1ccc(-c2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-39(33-23-11-3-12-24-33)45(35-27-15-5-16-28-35)41(43-37)42-44-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)46(42)36-29-17-6-18-30-36/h1-30H
InChIKeyXHBPYQPGOSUPNH-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.39
Rot. Bonds7

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

1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole (PubChem CID 19020129) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
PubChem CID19020129
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
SMILESc1ccc(-c2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-39(33-23-11-3-12-24-33)45(35-27-15-5-16-28-35)41(43-37)42-44-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)46(42)36-29-17-6-18-30-36/h1-30H
InChIKeyXHBPYQPGOSUPNH-UHFFFAOYSA-N
XLogP10.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole?
The IUPAC name of 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole (CID 19020129) is 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole.
What is the SMILES notation for 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole?
The canonical SMILES for 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole is c1ccc(-c2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole?
The InChIKey is XHBPYQPGOSUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-39(33-23-11-3-12-24-33)45(35-27-15-5-16-28-35)41(43-37)42-44-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)46(42)36-29-17-6-18-30-36/h1-30H.
What are the key properties of 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole?
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole has a molecular weight of 590.73 g/mol, XLogP of 10.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole is sourced from PubChem (CID 19020129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).