trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane

C54H47N3Si2 — CID 123744024

About trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane

trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane (PubChem CID 123744024) has the molecular formula C54H47N3Si2 and a molecular weight of 794.16 g/mol. Its IUPAC name is trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
• PubChem CID: 123744024
• Molecular Formula: C54H47N3Si2
• Molecular Weight: 794.16 g/mol
• Exact Mass: 793.33
• IUPAC Name: trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
• SMILES: C[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([Si](C)(C)C)ccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C54H47N3Si2/c1-58(2,3)41-24-29-52-47(34-41)45-31-36(21-27-50(45)55(52)38-15-9-7-10-16-38)37-22-28-51-46(32-37)48-35-42(59(4,5)6)25-30-53(48)57(51)40-23-26-44-43-19-13-14-20-49(43)56(54(44)33-40)39-17-11-8-12-18-39/h7-35H,1-6H3
• InChIKey: XRQMFVHIKSOYIZ-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.16
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?

The IUPAC name of trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane (CID 123744024) is trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane.

What is the SMILES notation for trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?

The canonical SMILES for trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane is C[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([Si](C)(C)C)ccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc1n2-c1ccccc1.

What is the InChIKey of trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?

The InChIKey is XRQMFVHIKSOYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N3Si2/c1-58(2,3)41-24-29-52-47(34-41)45-31-36(21-27-50(45)55(52)38-15-9-7-10-16-38)37-22-28-51-46(32-37)48-35-42(59(4,5)6)25-30-53(48)57(51)40-23-26-44-43-19-13-14-20-49(43)56(54(44)33-40)39-17-11-8-12-18-39/h7-35H,1-6H3.

What are the key properties of trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?

trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane has a molecular weight of 794.16 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane is sourced from PubChem (CID 123744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).