diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane

C51H42N4Si — CID 167382940

About diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane

diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane (PubChem CID 167382940) has the molecular formula C51H42N4Si and a molecular weight of 739.01 g/mol. Its IUPAC name is diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane.

Molecular Properties

• Compound Name: diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane
• PubChem CID: 167382940
• Molecular Formula: C51H42N4Si
• Molecular Weight: 739.01 g/mol
• Exact Mass: 738.32
• IUPAC Name: diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane
• SMILES: CC(C)c1ccnc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C51H42N4Si/c1-37(2)38-31-32-52-51(33-38)55-47-26-13-12-25-45(47)46-30-29-44(35-50(46)55)56(41-20-8-4-9-21-41,42-22-10-5-11-23-42)43-24-16-19-40(34-43)54-36-53(39-17-6-3-7-18-39)48-27-14-15-28-49(48)54/h3-35,37H,36H2,1-2H3
• InChIKey: ZKYPAOCPQPIFEI-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.01
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane?

The IUPAC name of diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane (CID 167382940) is diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane.

What is the SMILES notation for diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane?

The canonical SMILES for diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane is CC(C)c1ccnc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane?

The InChIKey is ZKYPAOCPQPIFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N4Si/c1-37(2)38-31-32-52-51(33-38)55-47-26-13-12-25-45(47)46-30-29-44(35-50(46)55)56(41-20-8-4-9-21-41,42-22-10-5-11-23-42)43-24-16-19-40(34-43)54-36-53(39-17-6-3-7-18-39)48-27-14-15-28-49(48)54/h3-35,37H,36H2,1-2H3.

What are the key properties of diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane?

diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane has a molecular weight of 739.01 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane is sourced from PubChem (CID 167382940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).