5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole

C68H44N6 — CID 58953722

About 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole

5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole (PubChem CID 58953722) has the molecular formula C68H44N6 and a molecular weight of 945.14 g/mol. Its IUPAC name is 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole.

Molecular Properties

• Compound Name: 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
• PubChem CID: 58953722
• Molecular Formula: C68H44N6
• Molecular Weight: 945.14 g/mol
• Exact Mass: 944.36
• IUPAC Name: 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
• SMILES: c1ccc(-c2c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cn4)cc3c(-c3ccccc3)c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc23)cc1
• InChI: InChI=1S/C68H44N6/c1-6-18-45(19-7-1)65-56-35-30-52(59-36-31-53(44-70-59)51-33-37-62-60(43-51)71-67(47-22-10-3-11-23-47)73(62)54-26-14-5-15-27-54)41-58(56)66(46-20-8-2-9-21-46)55-34-29-49(40-57(55)65)50-32-38-63-61(42-50)72-68(48-24-12-4-13-25-48)74(63)64-28-16-17-39-69-64/h1-44H
• InChIKey: GJTDJCJBMXEFJP-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.14
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?

The IUPAC name of 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole (CID 58953722) is 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole.

What is the SMILES notation for 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?

The canonical SMILES for 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole is c1ccc(-c2c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cn4)cc3c(-c3ccccc3)c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)n5-c4ccccn4)cc23)cc1.

What is the InChIKey of 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?

The InChIKey is GJTDJCJBMXEFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6/c1-6-18-45(19-7-1)65-56-35-30-52(59-36-31-53(44-70-59)51-33-37-62-60(43-51)71-67(47-22-10-3-11-23-47)73(62)54-26-14-5-15-27-54)41-58(56)66(46-20-8-2-9-21-46)55-34-29-49(40-57(55)65)50-32-38-63-61(42-50)72-68(48-24-12-4-13-25-48)74(63)64-28-16-17-39-69-64/h1-44H.

What are the key properties of 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole?

5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole has a molecular weight of 945.14 g/mol, XLogP of 17.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 58953722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).