[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane

C60H48N2Si — CID 176779671

About [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane

[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 176779671) has the molecular formula C60H48N2Si and a molecular weight of 825.14 g/mol. Its IUPAC name is [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 176779671
• Molecular Formula: C60H48N2Si
• Molecular Weight: 825.14 g/mol
• Exact Mass: 824.36
• IUPAC Name: [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(C8CCCCC8)cc76)cc54)cc3)cc2)cc1
• InChI: InChI=1S/C60H48N2Si/c1-5-17-43(18-6-1)45-29-35-51(36-30-45)63(49-21-9-3-10-22-49,50-23-11-4-12-24-50)52-37-32-47(33-38-52)61-57-27-15-13-26-54(57)56-40-34-48(42-60(56)61)62-58-28-16-14-25-53(58)55-39-31-46(41-59(55)62)44-19-7-2-8-20-44/h1,3-6,9-18,21-42,44H,2,7-8,19-20H2
• InChIKey: AXFXSGGWCRATRU-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.14
LogP ≤ 5	12.97
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 [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 176779671) is [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane.

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

The canonical SMILES for [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(C8CCCCC8)cc76)cc54)cc3)cc2)cc1.

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

The InChIKey is AXFXSGGWCRATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2Si/c1-5-17-43(18-6-1)45-29-35-51(36-30-45)63(49-21-9-3-10-22-49,50-23-11-4-12-24-50)52-37-32-47(33-38-52)61-57-27-15-13-26-54(57)56-40-34-48(42-60(56)61)62-58-28-16-14-25-53(58)55-39-31-46(41-59(55)62)44-19-7-2-8-20-44/h1,3-6,9-18,21-42,44H,2,7-8,19-20H2.

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

[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 825.14 g/mol, XLogP of 12.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 176779671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).