tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane

C52H42N2Si — CID 170515528

About tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane

tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane (PubChem CID 170515528) has the molecular formula C52H42N2Si and a molecular weight of 723.01 g/mol. Its IUPAC name is tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane.

Molecular Properties

• Compound Name: tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
• PubChem CID: 170515528
• Molecular Formula: C52H42N2Si
• Molecular Weight: 723.01 g/mol
• Exact Mass: 722.31
• IUPAC Name: tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
• SMILES: CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2c1c1ccccc1n2-c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1
• InChI: InChI=1S/C52H42N2Si/c1-52(2,3)55(41-20-9-5-10-21-41,42-22-11-6-12-23-42)50-29-17-28-48-51(50)45-25-14-16-27-47(45)54(48)40-34-35-44-43-24-13-15-26-46(43)53(49(44)36-40)39-32-30-38(31-33-39)37-18-7-4-8-19-37/h4-36H,1-3H3
• InChIKey: VSQLWWKUAKTXOH-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.01
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The IUPAC name of tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane (CID 170515528) is tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane.

What is the SMILES notation for tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The canonical SMILES for tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2c1c1ccccc1n2-c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.

What is the InChIKey of tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The InChIKey is VSQLWWKUAKTXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2Si/c1-52(2,3)55(41-20-9-5-10-21-41,42-22-11-6-12-23-42)50-29-17-28-48-51(50)45-25-14-16-27-47(45)54(48)40-34-35-44-43-24-13-15-26-46(43)53(49(44)36-40)39-32-30-38(31-33-39)37-18-7-4-8-19-37/h4-36H,1-3H3.

What are the key properties of tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane has a molecular weight of 723.01 g/mol, XLogP of 11.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-diphenyl-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane is sourced from PubChem (CID 170515528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).