2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole

C52H31N5O — CID 171812854

About 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole

2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 171812854) has the molecular formula C52H31N5O and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
• PubChem CID: 171812854
• Molecular Formula: C52H31N5O
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.25
• IUPAC Name: 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-n2c(-c3ccccc3-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)nc3ccccc32)cc1
• InChI: InChI=1S/C52H31N5O/c1-2-15-33(16-3-1)57-45-26-12-11-25-44(45)53-52(57)40-22-9-8-21-39(40)50-54-49(55-51(56-50)42-24-14-28-47-48(42)41-23-10-13-27-46(41)58-47)32-29-30-38-36-19-5-4-17-34(36)35-18-6-7-20-37(35)43(38)31-32/h1-31H
• InChIKey: LPWPUWIBRWGIEX-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.85
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole (CID 171812854) is 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccccc3-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)nc3ccccc32)cc1.

What is the InChIKey of 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole?

The InChIKey is LPWPUWIBRWGIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O/c1-2-15-33(16-3-1)57-45-26-12-11-25-44(45)53-52(57)40-22-9-8-21-39(40)50-54-49(55-51(56-50)42-24-14-28-47-48(42)41-23-10-13-27-46(41)58-47)32-29-30-38-36-19-5-4-17-34(36)35-18-6-7-20-37(35)43(38)31-32/h1-31H.

What are the key properties of 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole?

2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 741.85 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 171812854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).