2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline

C85H50N4 — CID 134559803

About 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline

2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline (PubChem CID 134559803) has the molecular formula C85H50N4 and a molecular weight of 1127.36 g/mol. Its IUPAC name is 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline
• PubChem CID: 134559803
• Molecular Formula: C85H50N4
• Molecular Weight: 1127.36 g/mol
• Exact Mass: 1126.40
• IUPAC Name: 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline
• SMILES: C1=C=Cc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nc7ccc(-c8cc9ccc(-c%10cccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)c%10)nc9c9ccccc89)cc7n6-c6ccccc6)cc5)ccc34)ccc2C=1
• InChI: InChI=1S/C85H50N4/c1-2-22-68(23-3-1)89-80-52-62(75-51-67-42-45-78(87-84(67)74-28-13-10-25-70(74)75)64-21-14-20-63(49-64)77-44-40-57-34-33-56-17-8-9-24-69(56)83(57)86-77)41-46-79(80)88-85(89)58-35-29-55(30-36-58)61-39-43-73-76(50-61)82(66-38-32-54-16-5-7-19-60(54)48-66)72-27-12-11-26-71(72)81(73)65-37-31-53-15-4-6-18-59(53)47-65/h1-3,5,7-52H
• InChIKey: CLOAFJYCPLRHMO-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.36
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline?

The IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline (CID 134559803) is 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline.

What is the SMILES notation for 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline?

The canonical SMILES for 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline is C1=C=Cc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nc7ccc(-c8cc9ccc(-c%10cccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)c%10)nc9c9ccccc89)cc7n6-c6ccccc6)cc5)ccc34)ccc2C=1.

What is the InChIKey of 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline?

The InChIKey is CLOAFJYCPLRHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H50N4/c1-2-22-68(23-3-1)89-80-52-62(75-51-67-42-45-78(87-84(67)74-28-13-10-25-70(74)75)64-21-14-20-63(49-64)77-44-40-57-34-33-56-17-8-9-24-69(56)83(57)86-77)41-46-79(80)88-85(89)58-35-29-55(30-36-58)61-39-43-73-76(50-61)82(66-38-32-54-16-5-7-19-60(54)48-66)72-27-12-11-26-71(72)81(73)65-37-31-53-15-4-6-18-59(53)47-65/h1-3,5,7-52H.

What are the key properties of 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline?

2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline has a molecular weight of 1127.36 g/mol, XLogP of 22.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline is sourced from PubChem (CID 134559803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).