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

C45H38N4Si — CID 167382822

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

dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (PubChem CID 167382822) has the molecular formula C45H38N4Si and a molecular weight of 665.93 g/mol. Its IUPAC name is dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

Molecular Properties

• Compound Name: dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
• PubChem CID: 167382822
• Molecular Formula: C45H38N4Si
• Molecular Weight: 665.93 g/mol
• Exact Mass: 665.31
• IUPAC Name: dimethyl-[9-[4-(2-phenylphenyl)-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(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C45H38N4Si/c1-47-31-48(43-23-12-11-22-42(43)47)34-16-13-17-35(29-34)50(2,3)36-24-25-40-39-20-9-10-21-41(39)49(44(40)30-36)45-28-33(26-27-46-45)38-19-8-7-18-37(38)32-14-5-4-6-15-32/h4-30H,31H2,1-3H3/i1D3
• InChIKey: DKYZVMAIUCKHMM-FIBGUPNXSA-N
• XLogP: 9.88
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.93
LogP ≤ 5	9.88
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-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane?

The IUPAC name of dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane (CID 167382822) is dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane.

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

The canonical SMILES for dimethyl-[9-[4-(2-phenylphenyl)-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(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21.

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

The InChIKey is DKYZVMAIUCKHMM-FIBGUPNXSA-N. The full InChI is InChI=1S/C45H38N4Si/c1-47-31-48(43-23-12-11-22-42(43)47)34-16-13-17-35(29-34)50(2,3)36-24-25-40-39-20-9-10-21-41(39)49(44(40)30-36)45-28-33(26-27-46-45)38-19-8-7-18-37(38)32-14-5-4-6-15-32/h4-30H,31H2,1-3H3/i1D3.

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

dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane has a molecular weight of 665.93 g/mol, XLogP of 9.88, 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-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane is sourced from PubChem (CID 167382822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).