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

C42H30N4 — CID 14793612

IUPAC2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole
SMILESc1ccc(C2=NC(c3ccccc3)(C3(c4ccccc4)N=C(c4ccccc4)N=C3c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-41(35-27-15-5-16-28-35,45-39(43-37)33-23-11-3-12-24-33)42(36-29-17-6-18-30-36)38(32-21-9-2-10-22-32)44-40(46-42)34-25-13-4-14-26-34/h1-30H
InChIKeyNKEDDSSCLHRATD-UHFFFAOYSA-N
MW590.73 g/mol
LogP8.68
Rot. Bonds7

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

2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole (PubChem CID 14793612) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole
PubChem CID14793612
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole
SMILESc1ccc(C2=NC(c3ccccc3)(C3(c4ccccc4)N=C(c4ccccc4)N=C3c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-41(35-27-15-5-16-28-35,45-39(43-37)33-23-11-3-12-24-33)42(36-29-17-6-18-30-36)38(32-21-9-2-10-22-32)44-40(46-42)34-25-13-4-14-26-34/h1-30H
InChIKeyNKEDDSSCLHRATD-UHFFFAOYSA-N
XLogP8.68
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 58.68
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-4-(2,4,5-triphenylimidazol-4-yl)imidazole?
The IUPAC name of 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole (CID 14793612) is 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole.
What is the SMILES notation for 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole?
The canonical SMILES for 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole is c1ccc(C2=NC(c3ccccc3)(C3(c4ccccc4)N=C(c4ccccc4)N=C3c3ccccc3)C(c3ccccc3)=N2)cc1.
What is the InChIKey of 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole?
The InChIKey is NKEDDSSCLHRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-41(35-27-15-5-16-28-35,45-39(43-37)33-23-11-3-12-24-33)42(36-29-17-6-18-30-36)38(32-21-9-2-10-22-32)44-40(46-42)34-25-13-4-14-26-34/h1-30H.
What are the key properties of 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole?
2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole has a molecular weight of 590.73 g/mol, XLogP of 8.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-4-(2,4,5-triphenylimidazol-4-yl)imidazole is sourced from PubChem (CID 14793612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).