1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole

C65H42N4 — CID 155333714

About 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole

1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole (PubChem CID 155333714) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole.

Molecular Properties

• Compound Name: 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
• PubChem CID: 155333714
• Molecular Formula: C65H42N4
• Molecular Weight: 879.08 g/mol
• Exact Mass: 878.34
• IUPAC Name: 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
• SMILES: c1ccc(-c2nc3ccccc3n2-c2cccc3c(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc23)cc1
• InChI: InChI=1S/C65H42N4/c1-5-22-43(23-6-1)63-66-55-36-15-17-38-59(55)68(63)57-40-20-31-48-52(57)42-53-49(32-21-41-58(53)69-60-39-18-16-37-56(60)67-64(69)44-24-7-2-8-25-44)61(48)51-34-19-33-50-47-30-13-14-35-54(47)65(62(50)51,45-26-9-3-10-27-45)46-28-11-4-12-29-46/h1-42H
• InChIKey: RDERSJUEWSTAJB-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.08
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?

The IUPAC name of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole (CID 155333714) is 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole.

What is the SMILES notation for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?

The canonical SMILES for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2cccc3c(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc23)cc1.

What is the InChIKey of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?

The InChIKey is RDERSJUEWSTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4/c1-5-22-43(23-6-1)63-66-55-36-15-17-38-59(55)68(63)57-40-20-31-48-52(57)42-53-49(32-21-41-58(53)69-60-39-18-16-37-56(60)67-64(69)44-24-7-2-8-25-44)61(48)51-34-19-33-50-47-30-13-14-35-54(47)65(62(50)51,45-26-9-3-10-27-45)46-28-11-4-12-29-46/h1-42H.

What are the key properties of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole?

1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole has a molecular weight of 879.08 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 155333714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).