2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole

C131H87N11 — CID 157091418

About 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole

2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole (PubChem CID 157091418) has the molecular formula C131H87N11 and a molecular weight of 1817.23 g/mol. Its IUPAC name is 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole.

Molecular Properties

• Compound Name: 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole
• PubChem CID: 157091418
• Molecular Formula: C131H87N11
• Molecular Weight: 1817.23 g/mol
• Exact Mass: 1815.73
• IUPAC Name: 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole
• SMILES: Cc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.[2H]c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1.[2H]c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C51H33N5.C44H29N3.C36H25N3/c1-32-22-24-34(25-23-32)51-52-46-20-10-11-21-47(46)56(51)37-28-26-33(27-29-37)48-53-49(44-30-35-12-2-4-14-38(35)40-16-6-8-18-42(40)44)55-50(54-48)45-31-36-13-3-5-15-39(36)41-17-7-9-19-43(41)45;1-2-12-33(13-3-1)44-46-40-16-8-9-17-43(40)47(44)39-24-22-32(23-25-39)41-28-38(36-20-18-30-10-4-6-14-34(30)26-36)29-42(45-41)37-21-19-31-11-5-7-15-35(31)27-37;1-4-12-26(13-5-1)30-24-33(27-14-6-2-7-15-27)37-34(25-30)28-20-22-31(23-21-28)39-35-19-11-10-18-32(35)38-36(39)29-16-8-3-9-17-29/h2-31H,1H3;1-29H;1-25H/i;1D;3D
• InChIKey: AESBHIVEKQDQEK-HVEYNTKPSA-N
• XLogP: 33.28
• TPSA: 117.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.23
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole?

The IUPAC name of 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole (CID 157091418) is 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole.

What is the SMILES notation for 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole?

The canonical SMILES for 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.[2H]c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1.[2H]c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole?

The InChIKey is AESBHIVEKQDQEK-HVEYNTKPSA-N. The full InChI is InChI=1S/C51H33N5.C44H29N3.C36H25N3/c1-32-22-24-34(25-23-32)51-52-46-20-10-11-21-47(46)56(51)37-28-26-33(27-29-37)48-53-49(44-30-35-12-2-4-14-38(35)40-16-6-8-18-42(40)44)55-50(54-48)45-31-36-13-3-5-15-39(36)41-17-7-9-19-43(41)45;1-2-12-33(13-3-1)44-46-40-16-8-9-17-43(40)47(44)39-24-22-32(23-25-39)41-28-38(36-20-18-30-10-4-6-14-34(30)26-36)29-42(45-41)37-21-19-31-11-5-7-15-35(31)27-37;1-4-12-26(13-5-1)30-24-33(27-14-6-2-7-15-27)37-34(25-30)28-20-22-31(23-21-28)39-35-19-11-10-18-32(35)38-36(39)29-16-8-3-9-17-29/h2-31H,1H3;1-29H;1-25H/i;1D;3D.

What are the key properties of 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole?

2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole has a molecular weight of 1817.23 g/mol, XLogP of 33.28, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 157091418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).