[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane

C45H46N4Si — CID 167382905

About [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane

[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (PubChem CID 167382905) has the molecular formula C45H46N4Si and a molecular weight of 674.00 g/mol. Its IUPAC name is [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

Molecular Properties

• Compound Name: [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• PubChem CID: 167382905
• Molecular Formula: C45H46N4Si
• Molecular Weight: 674.00 g/mol
• Exact Mass: 673.37
• IUPAC Name: [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• SMILES: [2H]C([2H])([2H])N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cccc6C(C)C)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C45H46N4Si/c1-30(2)36-17-13-18-37(31(3)4)45(36)32-24-25-46-44(26-32)49-40-19-9-8-16-38(40)39-23-22-35(28-43(39)49)50(6,7)34-15-12-14-33(27-34)48-29-47(5)41-20-10-11-21-42(41)48/h8-28,30-31H,29H2,1-7H3/i5D3
• InChIKey: ZNVVVRRZSJTVCW-VPYROQPTSA-N
• XLogP: 10.46
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.00
LogP ≤ 5	10.46
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 [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The IUPAC name of [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (CID 167382905) is [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

What is the SMILES notation for [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The canonical SMILES for [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is [2H]C([2H])([2H])N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6c(C(C)C)cccc6C(C)C)ccn5)c4c3)c2)c2ccccc21.

What is the InChIKey of [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The InChIKey is ZNVVVRRZSJTVCW-VPYROQPTSA-N. The full InChI is InChI=1S/C45H46N4Si/c1-30(2)36-17-13-18-37(31(3)4)45(36)32-24-25-46-44(26-32)49-40-19-9-8-16-38(40)39-23-22-35(28-43(39)49)50(6,7)34-15-12-14-33(27-34)48-29-47(5)41-20-10-11-21-42(41)48/h8-28,30-31H,29H2,1-7H3/i5D3.

What are the key properties of [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane has a molecular weight of 674.00 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is sourced from PubChem (CID 167382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).