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

C57H42N2Si — CID 140842348

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

[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 140842348) has the molecular formula C57H42N2Si and a molecular weight of 783.06 g/mol. Its IUPAC name is [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

• Compound Name: [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• PubChem CID: 140842348
• Molecular Formula: C57H42N2Si
• Molecular Weight: 783.06 g/mol
• Exact Mass: 782.31
• IUPAC Name: [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-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)40-21-18-26-43(35-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-34-55-49(36-44)46-28-13-16-31-53(46)58(55)39-19-6-3-7-20-39/h3-38H,1-2H3
• InChIKey: IAOGSGCCFRDOLQ-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-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The IUPAC name of [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 140842348) is [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

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

The canonical SMILES for [3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.

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

The InChIKey is IAOGSGCCFRDOLQ-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)40-21-18-26-43(35-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-34-55-49(36-44)46-28-13-16-31-53(46)58(55)39-19-6-3-7-20-39/h3-38H,1-2H3.

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

[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane 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-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 140842348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).