[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

C57H42N2Si — CID 165164081

About [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 165164081) has the molecular formula C57H42N2Si and a molecular weight of 783.06 g/mol. Its IUPAC name is [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 165164081
• Molecular Formula: C57H42N2Si
• Molecular Weight: 783.06 g/mol
• Exact Mass: 782.31
• IUPAC Name: [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C57H42N2Si/c1-57(2)51-30-15-12-27-45(51)48-38-56-50(37-52(48)57)47-29-14-17-32-54(47)59(56)40-33-34-55-49(36-40)46-28-13-16-31-53(46)58(55)39-19-18-26-44(35-39)60(41-20-6-3-7-21-41,42-22-8-4-9-23-42)43-24-10-5-11-25-43/h3-38H,1-2H3
• InChIKey: JSVJNTXIVWUCGZ-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.06
LogP ≤ 5	11.56
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-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 165164081) is [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is JSVJNTXIVWUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2Si/c1-57(2)51-30-15-12-27-45(51)48-38-56-50(37-52(48)57)47-29-14-17-32-54(47)59(56)40-33-34-55-49(36-40)46-28-13-16-31-53(46)58(55)39-19-18-26-44(35-39)60(41-20-6-3-7-21-41,42-22-8-4-9-23-42)43-24-10-5-11-25-43/h3-38H,1-2H3.

What are the key properties of [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 783.06 g/mol, XLogP of 11.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 165164081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).