[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane

C43H42N4Si — CID 167382172

About [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane

[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane (PubChem CID 167382172) has the molecular formula C43H42N4Si and a molecular weight of 642.92 g/mol. Its IUPAC name is [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane
• PubChem CID: 167382172
• Molecular Formula: C43H42N4Si
• Molecular Weight: 642.92 g/mol
• Exact Mass: 642.32
• IUPAC Name: [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane
• SMILES: Cc1ccccc1-c1ccnc(-n2c3ccccc3c3ccc([Si](C)(C)c4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C43H42N4Si/c1-30-14-7-8-17-35(30)31-24-25-44-42(26-31)47-38-19-10-9-18-36(38)37-23-22-34(28-41(37)47)48(5,6)33-16-13-15-32(27-33)45-29-46(43(2,3)4)40-21-12-11-20-39(40)45/h7-28H,29H2,1-6H3
• InChIKey: VQVOCBLNEGJFAM-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.92
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane (CID 167382172) is [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane.

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

The canonical SMILES for [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane is Cc1ccccc1-c1ccnc(-n2c3ccccc3c3ccc([Si](C)(C)c4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)cc32)c1.

What is the InChIKey of [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane?

The InChIKey is VQVOCBLNEGJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4Si/c1-30-14-7-8-17-35(30)31-24-25-44-42(26-31)47-38-19-10-9-18-36(38)37-23-22-34(28-41(37)47)48(5,6)33-16-13-15-32(27-33)45-29-46(43(2,3)4)40-21-12-11-20-39(40)45/h7-28H,29H2,1-6H3.

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

[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane has a molecular weight of 642.92 g/mol, XLogP of 9.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane is sourced from PubChem (CID 167382172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).