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

C47H42N4Si — CID 167382436

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

dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane (PubChem CID 167382436) has the molecular formula C47H42N4Si and a molecular weight of 690.97 g/mol. Its IUPAC name is dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane.

Molecular Properties

• Compound Name: dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane
• PubChem CID: 167382436
• Molecular Formula: C47H42N4Si
• Molecular Weight: 690.97 g/mol
• Exact Mass: 690.32
• IUPAC Name: dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane
• SMILES: CC(C)N1CN(c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C47H42N4Si/c1-33(2)49-32-50(45-24-13-12-23-44(45)49)36-17-14-18-37(30-36)52(3,4)38-25-26-42-41-21-10-11-22-43(41)51(46(42)31-38)47-29-35(27-28-48-47)40-20-9-8-19-39(40)34-15-6-5-7-16-34/h5-31,33H,32H2,1-4H3
• InChIKey: BTYRJUHLBLRRRX-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.97
LogP ≤ 5	10.66
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-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane?

The IUPAC name of dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane (CID 167382436) is dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane.

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

The canonical SMILES for dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane is CC(C)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-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane?

The InChIKey is BTYRJUHLBLRRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N4Si/c1-33(2)49-32-50(45-24-13-12-23-44(45)49)36-17-14-18-37(30-36)52(3,4)38-25-26-42-41-21-10-11-22-43(41)51(46(42)31-38)47-29-35(27-28-48-47)40-20-9-8-19-39(40)34-15-6-5-7-16-34/h5-31,33H,32H2,1-4H3.

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

dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane has a molecular weight of 690.97 g/mol, XLogP of 10.66, 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-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane is sourced from PubChem (CID 167382436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).