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

C42H40N4Si — CID 167382846

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

[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane (PubChem CID 167382846) has the molecular formula C42H40N4Si and a molecular weight of 628.90 g/mol. Its IUPAC name is [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane.

Molecular Properties

• Compound Name: [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane
• PubChem CID: 167382846
• Molecular Formula: C42H40N4Si
• Molecular Weight: 628.90 g/mol
• Exact Mass: 628.30
• IUPAC Name: [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane
• SMILES: CC(C)(C)N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C42H40N4Si/c1-42(2,3)45-29-44(38-20-11-12-21-39(38)45)32-16-13-17-33(27-32)47(4,5)34-22-23-36-35-18-9-10-19-37(35)46(40(36)28-34)41-26-31(24-25-43-41)30-14-7-6-8-15-30/h6-28H,29H2,1-5H3
• InChIKey: DQRFWQZCCFRGQU-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.90
LogP ≤ 5	9.38
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-phenyl-2-pyridinyl)carbazol-2-yl]silane?

The IUPAC name of [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane (CID 167382846) is [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane.

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

The canonical SMILES for [3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane is CC(C)(C)N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)ccn5)c4c3)c2)c2ccccc21.

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

The InChIKey is DQRFWQZCCFRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4Si/c1-42(2,3)45-29-44(38-20-11-12-21-39(38)45)32-16-13-17-33(27-32)47(4,5)34-22-23-36-35-18-9-10-19-37(35)46(40(36)28-34)41-26-31(24-25-43-41)30-14-7-6-8-15-30/h6-28H,29H2,1-5H3.

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

[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane has a molecular weight of 628.90 g/mol, XLogP of 9.38, 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-phenyl-2-pyridinyl)carbazol-2-yl]silane is sourced from PubChem (CID 167382846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).