[3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

C60H48N2Si — CID 176779773

About [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

[3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 176779773) has the molecular formula C60H48N2Si and a molecular weight of 825.14 g/mol. Its IUPAC name is [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• PubChem CID: 176779773
• Molecular Formula: C60H48N2Si
• Molecular Weight: 825.14 g/mol
• Exact Mass: 824.36
• IUPAC Name: [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc(C8CCCCC8)cc76)ccc54)cc3)c2)cc1
• InChI: InChI=1S/C60H48N2Si/c1-5-18-43(19-6-1)46-34-38-55-53-28-13-15-30-57(53)62(60(55)41-46)48-37-39-59-56(42-48)54-29-14-16-31-58(54)61(59)47-35-32-44(33-36-47)45-20-17-27-52(40-45)63(49-21-7-2-8-22-49,50-23-9-3-10-24-50)51-25-11-4-12-26-51/h2-4,7-17,20-43H,1,5-6,18-19H2
• InChIKey: ZVABKNXTOHSJGE-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 [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (CID 176779773) is [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc(C8CCCCC8)cc76)ccc54)cc3)c2)cc1.

What is the InChIKey of [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

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

What are the key properties of [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

[3-[4-[3-(2-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 [3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 176779773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).