2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole

C77H48N2 — CID 58963543

About 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole

2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole (PubChem CID 58963543) has the molecular formula C77H48N2 and a molecular weight of 1001.25 g/mol. Its IUPAC name is 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
• PubChem CID: 58963543
• Molecular Formula: C77H48N2
• Molecular Weight: 1001.25 g/mol
• Exact Mass: 1000.38
• IUPAC Name: 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
• SMILES: c1ccc(-n2c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)cc6)c6ccccc56)ccc4c3)nc3ccccc32)cc1
• InChI: InChI=1S/C77H48N2/c1-2-20-62(21-3-1)79-72-29-15-14-28-71(72)78-77(79)61-41-37-55-46-59(40-36-56(55)47-61)74-65-24-10-8-22-63(65)73(64-23-9-11-25-66(64)74)52-34-30-51(31-35-52)57-42-43-69-70(48-57)76(60-39-33-50-17-5-7-19-54(50)45-60)68-27-13-12-26-67(68)75(69)58-38-32-49-16-4-6-18-53(49)44-58/h1-48H
• InChIKey: AVQIGEZQUIVMHW-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.25
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole?

The IUPAC name of 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole (CID 58963543) is 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)cc6)c6ccccc56)ccc4c3)nc3ccccc32)cc1.

What is the InChIKey of 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole?

The InChIKey is AVQIGEZQUIVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N2/c1-2-20-62(21-3-1)79-72-29-15-14-28-71(72)78-77(79)61-41-37-55-46-59(40-36-56(55)47-61)74-65-24-10-8-22-63(65)73(64-23-9-11-25-66(64)74)52-34-30-51(31-35-52)57-42-43-69-70(48-57)76(60-39-33-50-17-5-7-19-54(50)45-60)68-27-13-12-26-67(68)75(69)58-38-32-49-16-4-6-18-53(49)44-58/h1-48H.

What are the key properties of 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole?

2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole has a molecular weight of 1001.25 g/mol, XLogP of 21.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 58963543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).