[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

C61H43N3Si — CID 174109179

About [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 174109179) has the molecular formula C61H43N3Si and a molecular weight of 846.12 g/mol. Its IUPAC name is [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

• Compound Name: [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• PubChem CID: 174109179
• Molecular Formula: C61H43N3Si
• Molecular Weight: 846.12 g/mol
• Exact Mass: 845.32
• IUPAC Name: [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
• SMILES: Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
• InChI: InChI=1S/C61H43N3Si/c1-42-38-45(63-57-33-19-16-30-53(57)60-59(63)37-35-52-50-28-14-18-32-56(50)64(61(52)60)44-22-8-3-9-23-44)40-49(39-42)65(46-24-10-4-11-25-46,47-26-12-5-13-27-47)48-34-36-58-54(41-48)51-29-15-17-31-55(51)62(58)43-20-6-2-7-21-43/h2-41H,1H3
• InChIKey: IRVNMEXTXSPDJW-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.12
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The IUPAC name of [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 174109179) is [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

What is the SMILES notation for [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The canonical SMILES for [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.

What is the InChIKey of [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

The InChIKey is IRVNMEXTXSPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3Si/c1-42-38-45(63-57-33-19-16-30-53(57)60-59(63)37-35-52-50-28-14-18-32-56(50)64(61(52)60)44-22-8-3-9-23-44)40-49(39-42)65(46-24-10-4-11-25-46,47-26-12-5-13-27-47)48-34-36-58-54(41-48)51-29-15-17-31-55(51)62(58)43-20-6-2-7-21-43/h2-41H,1H3.

What are the key properties of [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?

[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 846.12 g/mol, XLogP of 12.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 174109179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).