[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

C57H42N2Si — CID 140842712

About [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 140842712) has the molecular formula C57H42N2Si and a molecular weight of 783.06 g/mol. Its IUPAC name is [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

• Compound Name: [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• PubChem CID: 140842712
• Molecular Formula: C57H42N2Si
• Molecular Weight: 783.06 g/mol
• Exact Mass: 782.31
• IUPAC Name: [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c21
• InChI: InChI=1S/C57H42N2Si/c1-57(2)50-30-15-12-29-48(50)55-51(57)35-34-47-45-27-13-17-32-53(45)59(56(47)55)40-21-18-26-43(37-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-36-54-49(38-44)46-28-14-16-31-52(46)58(54)39-19-6-3-7-20-39/h3-38H,1-2H3
• InChIKey: FOVMHAYDJNQIIO-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-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The IUPAC name of [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 140842712) is [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

What is the SMILES notation for [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The canonical SMILES for [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c21.

What is the InChIKey of [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

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

What are the key properties of [3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

[3-(7,7-dimethylindeno[1,2-a]carbazol-12-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-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 140842712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).