[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

C60H43N3Si — CID 177276867

About [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (PubChem CID 177276867) has the molecular formula C60H43N3Si and a molecular weight of 834.11 g/mol. Its IUPAC name is [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.

Molecular Properties

• Compound Name: [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
• PubChem CID: 177276867
• Molecular Formula: C60H43N3Si
• Molecular Weight: 834.11 g/mol
• Exact Mass: 833.32
• IUPAC Name: [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
• SMILES: C1=CCC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c32)C=C1
• InChI: InChI=1S/C60H43N3Si/c1-5-20-42(21-6-1)61-53-32-17-14-29-50(53)58-55(61)34-19-35-57(58)64(45-24-9-3-10-25-45,46-26-11-4-12-27-46)47-38-36-44(37-39-47)62-54-33-18-15-30-51(54)59-56(62)41-40-49-48-28-13-16-31-52(48)63(60(49)59)43-22-7-2-8-23-43/h1-22,24-41,43H,23H2
• InChIKey: GLBXNCRUUSWDRN-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.11
LogP ≤ 5	12.42
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 [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The IUPAC name of [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (CID 177276867) is [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.

What is the SMILES notation for [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The canonical SMILES for [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is C1=CCC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c32)C=C1.

What is the InChIKey of [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The InChIKey is GLBXNCRUUSWDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3Si/c1-5-20-42(21-6-1)61-53-32-17-14-29-50(53)58-55(61)34-19-35-57(58)64(45-24-9-3-10-25-45,46-26-11-4-12-27-46)47-38-36-44(37-39-47)62-54-33-18-15-30-51(54)59-56(62)41-40-49-48-28-13-16-31-52(48)63(60(49)59)43-22-7-2-8-23-43/h1-22,24-41,43H,23H2.

What are the key properties of [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane has a molecular weight of 834.11 g/mol, XLogP of 12.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is sourced from PubChem (CID 177276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).