triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane

C59H40N4Si — CID 144596712

About triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane

triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane (PubChem CID 144596712) has the molecular formula C59H40N4Si and a molecular weight of 833.08 g/mol. Its IUPAC name is triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane.

Molecular Properties

• Compound Name: triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane
• PubChem CID: 144596712
• Molecular Formula: C59H40N4Si
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.30
• IUPAC Name: triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)n6)c45)ccc32)cc1
• InChI: InChI=1S/C59H40N4Si/c1-5-20-41(21-6-1)61-51-31-16-14-29-47(51)50-40-42(36-38-54(50)61)62-53-33-18-15-30-49(53)58-55(62)39-37-48-46-28-13-17-32-52(46)63(59(48)58)56-34-19-35-57(60-56)64(43-22-7-2-8-23-43,44-24-9-3-10-25-44)45-26-11-4-12-27-45/h1-40H
• InChIKey: TVJKJRROMSKNEK-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.08
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane?

The IUPAC name of triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane (CID 144596712) is triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane.

What is the SMILES notation for triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane?

The canonical SMILES for triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)n6)c45)ccc32)cc1.

What is the InChIKey of triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane?

The InChIKey is TVJKJRROMSKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4Si/c1-5-20-41(21-6-1)61-51-31-16-14-29-47(51)50-40-42(36-38-54(50)61)62-53-33-18-15-30-49(53)58-55(62)39-37-48-46-28-13-17-32-52(46)63(59(48)58)56-34-19-35-57(60-56)64(43-22-7-2-8-23-43,44-24-9-3-10-25-44)45-26-11-4-12-27-45/h1-40H.

What are the key properties of triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane?

triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane has a molecular weight of 833.08 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[6-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]silane is sourced from PubChem (CID 144596712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).