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

C36H36N4Si — CID 167382912

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

dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane (PubChem CID 167382912) has the molecular formula C36H36N4Si and a molecular weight of 555.82 g/mol. Its IUPAC name is dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane.

Molecular Properties

• Compound Name: dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane
• PubChem CID: 167382912
• Molecular Formula: C36H36N4Si
• Molecular Weight: 555.82 g/mol
• Exact Mass: 555.29
• IUPAC Name: dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3ccc([Si](C)(C)c4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C36H36N4Si/c1-25(2)38-24-39(34-16-9-8-15-33(34)38)27-11-10-12-28(22-27)41(4,5)29-17-18-31-30-13-6-7-14-32(30)40(35(31)23-29)36-21-26(3)19-20-37-36/h6-23,25H,24H2,1-5H3/i3D3
• InChIKey: RXYAISRPBJMHED-HPRDVNIFSA-N
• XLogP: 7.63
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.82
LogP ≤ 5	7.63
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-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane?

The IUPAC name of dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane (CID 167382912) is dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane.

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

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

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

The InChIKey is RXYAISRPBJMHED-HPRDVNIFSA-N. The full InChI is InChI=1S/C36H36N4Si/c1-25(2)38-24-39(34-16-9-8-15-33(34)38)27-11-10-12-28(22-27)41(4,5)29-17-18-31-30-13-6-7-14-32(30)40(35(31)23-29)36-21-26(3)19-20-37-36/h6-23,25H,24H2,1-5H3/i3D3.

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

dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane has a molecular weight of 555.82 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane is sourced from PubChem (CID 167382912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).