[4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

C60H48N2Si — CID 176779800

About [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

[4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 176779800) has the molecular formula C60H48N2Si and a molecular weight of 825.14 g/mol. Its IUPAC name is [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• PubChem CID: 176779800
• Molecular Formula: C60H48N2Si
• Molecular Weight: 825.14 g/mol
• Exact Mass: 824.36
• IUPAC Name: [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7cc(C8CCCCC8)ccc76)c54)c3)cc2)cc1
• InChI: InChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)46-37-40-58-55(42-46)53-30-14-16-33-57(53)62(58)59-34-18-31-54-52-29-13-15-32-56(52)61(60(54)59)47-22-17-21-45(41-47)44-35-38-51(39-36-44)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h2-4,7-18,21-43H,1,5-6,19-20H2
• InChIKey: JPHKHEGQUKGJHK-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-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The IUPAC name of [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (CID 176779800) is [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7cc(C8CCCCC8)ccc76)c54)c3)cc2)cc1.

What is the InChIKey of [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The InChIKey is JPHKHEGQUKGJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)46-37-40-58-55(42-46)53-30-14-16-33-57(53)62(58)59-34-18-31-54-52-29-13-15-32-56(52)61(60(54)59)47-22-17-21-45(41-47)44-35-38-51(39-36-44)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h2-4,7-18,21-43H,1,5-6,19-20H2.

What are the key properties of [4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

[4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane 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-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 176779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).