4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline

C89H76N6 — CID 146332167

About 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline

4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline (PubChem CID 146332167) has the molecular formula C89H76N6 and a molecular weight of 1229.63 g/mol. Its IUPAC name is 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline.

Molecular Properties

• Compound Name: 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline
• PubChem CID: 146332167
• Molecular Formula: C89H76N6
• Molecular Weight: 1229.63 g/mol
• Exact Mass: 1228.61
• IUPAC Name: 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline
• SMILES: CC1CC(N2C(c3ccccc3)=C(c3ccccc3)N(C)C2c2ccccc2)=CC=C1c1nc(-c2ccc(-n3c(C4C=CC=CC4)nc(-c4ccccc4)c3-c3ccccc3)cc2)c2cc(-c3cccc(C4C=CCCC4C)c3)cc(-c3cccc(C4=CCCC=C4)c3)c2n1
• InChI: InChI=1S/C89H76N6/c1-60-29-25-26-48-77(60)72-46-28-45-71(57-72)74-58-79(73-47-27-44-70(56-73)62-30-11-4-12-31-62)83-80(59-74)81(64-49-51-75(52-50-64)94-84(65-34-15-6-16-35-65)82(63-32-13-5-14-33-63)92-88(94)68-40-21-9-22-41-68)90-87(91-83)78-54-53-76(55-61(78)2)95-86(67-38-19-8-20-39-67)85(66-36-17-7-18-37-66)93(3)89(95)69-42-23-10-24-43-69/h5-11,13-24,26-28,30-40,42-54,56-61,68,77,89H,4,12,25,29,41,55H2,1-3H3
• InChIKey: DUODBFJHSYTLGD-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.63
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline?

The IUPAC name of 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline (CID 146332167) is 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline.

What is the SMILES notation for 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline?

The canonical SMILES for 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline is CC1CC(N2C(c3ccccc3)=C(c3ccccc3)N(C)C2c2ccccc2)=CC=C1c1nc(-c2ccc(-n3c(C4C=CC=CC4)nc(-c4ccccc4)c3-c3ccccc3)cc2)c2cc(-c3cccc(C4C=CCCC4C)c3)cc(-c3cccc(C4=CCCC=C4)c3)c2n1.

What is the InChIKey of 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline?

The InChIKey is DUODBFJHSYTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H76N6/c1-60-29-25-26-48-77(60)72-46-28-45-71(57-72)74-58-79(73-47-27-44-70(56-73)62-30-11-4-12-31-62)83-80(59-74)81(64-49-51-75(52-50-64)94-84(65-34-15-6-16-35-65)82(63-32-13-5-14-33-63)92-88(94)68-40-21-9-22-41-68)90-87(91-83)78-54-53-76(55-61(78)2)95-86(67-38-19-8-20-39-67)85(66-36-17-7-18-37-66)93(3)89(95)69-42-23-10-24-43-69/h5-11,13-24,26-28,30-40,42-54,56-61,68,77,89H,4,12,25,29,41,55H2,1-3H3.

What are the key properties of 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline?

4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline has a molecular weight of 1229.63 g/mol, XLogP of 22.33, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-cyclohexa-2,4-dien-1-yl-4,5-diphenylimidazol-1-yl)phenyl]-8-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-[3-(6-methylcyclohex-2-en-1-yl)phenyl]-2-[6-methyl-4-(3-methyl-2,4,5-triphenyl-2H-imidazol-1-yl)cyclohexa-1,3-dien-1-yl]quinazoline is sourced from PubChem (CID 146332167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).