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

C42H40N4Si — CID 167381737

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

dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (PubChem CID 167381737) has the molecular formula C42H40N4Si and a molecular weight of 631.91 g/mol. Its IUPAC name is dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

Molecular Properties

• Compound Name: dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• PubChem CID: 167381737
• Molecular Formula: C42H40N4Si
• Molecular Weight: 631.91 g/mol
• Exact Mass: 631.32
• IUPAC Name: dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6C(C)C)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C42H40N4Si/c1-29(2)34-15-6-7-16-35(34)30-23-24-43-42(25-30)46-38-18-9-8-17-36(38)37-22-21-33(27-41(37)46)47(4,5)32-14-12-13-31(26-32)45-28-44(3)39-19-10-11-20-40(39)45/h6-27,29H,28H2,1-5H3/i3D3
• InChIKey: HPZKEFSEQZXHML-HPRDVNIFSA-N
• XLogP: 9.34
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.91
LogP ≤ 5	9.34
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 dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The IUPAC name of dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (CID 167381737) is dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

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

The canonical SMILES for dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is [2H]C([2H])([2H])N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6C(C)C)ccn5)c4c3)c2)c2ccccc21.

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

The InChIKey is HPZKEFSEQZXHML-HPRDVNIFSA-N. The full InChI is InChI=1S/C42H40N4Si/c1-29(2)34-15-6-7-16-35(34)30-23-24-43-42(25-30)46-38-18-9-8-17-36(38)37-22-21-33(27-41(37)46)47(4,5)32-14-12-13-31(26-32)45-28-44(3)39-19-10-11-20-40(39)45/h6-27,29H,28H2,1-5H3/i3D3.

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

dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane has a molecular weight of 631.91 g/mol, XLogP of 9.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is sourced from PubChem (CID 167381737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).