4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine

C92H70N4 — CID 155334597

About 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine

4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine (PubChem CID 155334597) has the molecular formula C92H70N4 and a molecular weight of 1231.60 g/mol. Its IUPAC name is 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 155334597
• Molecular Formula: C92H70N4
• Molecular Weight: 1231.60 g/mol
• Exact Mass: 1230.56
• IUPAC Name: 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine
• SMILES: C=C/C=C\C1=C(C)N(c2ccccc2)c2c(/C(=C/C=C)c3cc4c(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)cccc4c(-c4cccc5nc(C)n(-c6ccccc6)c45)c3C)cccc2C1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C92H70N4/c1-6-8-56-81-64(4)94(70-45-24-13-25-46-70)88-76(53-33-58-83(88)91(81,66-37-16-9-17-38-66)67-39-18-10-19-40-67)73(36-7-2)79-62-80-74(51-32-52-75(80)87(63(79)3)78-55-35-60-85-90(78)95(65(5)93-85)71-47-26-14-27-48-71)77-54-34-59-84-89(77)96(72-49-28-15-29-50-72)86-61-31-30-57-82(86)92(84,68-41-20-11-21-42-68)69-43-22-12-23-44-69/h6-62H,1-2H2,3-5H3/b56-8-,73-36-
• InChIKey: NYNVVTJEOJKWGU-WKJJGLFISA-N
• XLogP: 23.42
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.60
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine (CID 155334597) is 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine.

What is the SMILES notation for 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine is C=C/C=C\C1=C(C)N(c2ccccc2)c2c(/C(=C/C=C)c3cc4c(-c5cccc6c5N(c5ccccc5)c5ccccc5C6(c5ccccc5)c5ccccc5)cccc4c(-c4cccc5nc(C)n(-c6ccccc6)c45)c3C)cccc2C1(c1ccccc1)c1ccccc1.

What is the InChIKey of 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine?

The InChIKey is NYNVVTJEOJKWGU-WKJJGLFISA-N. The full InChI is InChI=1S/C92H70N4/c1-6-8-56-81-64(4)94(70-45-24-13-25-46-70)88-76(53-33-58-83(88)91(81,66-37-16-9-17-38-66)67-39-18-10-19-40-67)73(36-7-2)79-62-80-74(51-32-52-75(80)87(63(79)3)78-55-35-60-85-90(78)95(65(5)93-85)71-47-26-14-27-48-71)77-54-34-59-84-89(77)96(72-49-28-15-29-50-72)86-61-31-30-57-82(86)92(84,68-41-20-11-21-42-68)69-43-22-12-23-44-69/h6-62H,1-2H2,3-5H3/b56-8-,73-36-.

What are the key properties of 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine?

4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1231.60 g/mol, XLogP of 23.42, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[(1E)-1-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4,4-triphenylquinolin-8-yl]buta-1,3-dienyl]-6-methyl-5-(2-methyl-3-phenylbenzimidazol-4-yl)naphthalen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 155334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).