[9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane

C71H47N5Si — CID 169052949

About [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane

[9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane (PubChem CID 169052949) has the molecular formula C71H47N5Si and a molecular weight of 998.28 g/mol. Its IUPAC name is [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane
• PubChem CID: 169052949
• Molecular Formula: C71H47N5Si
• Molecular Weight: 998.28 g/mol
• Exact Mass: 997.36
• IUPAC Name: [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4ccccc43)nc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C71H47N5Si/c1-4-22-49(23-5-1)77(50-24-6-2-7-25-50,51-26-8-3-9-27-51)52-41-43-67-60(47-52)58-33-14-18-36-63(58)74(67)69-44-45-70(75-64-37-19-12-30-55(64)56-31-13-20-38-65(56)75)72-71(69)76-66-39-21-15-32-57(66)59-46-48(40-42-68(59)76)73-61-34-16-10-28-53(61)54-29-11-17-35-62(54)73/h1-47H
• InChIKey: VJUFGFSTZOXECN-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 32.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.28
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane (CID 169052949) is [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane.

What is the SMILES notation for [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane?

The canonical SMILES for [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4ccccc43)nc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.

What is the InChIKey of [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane?

The InChIKey is VJUFGFSTZOXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5Si/c1-4-22-49(23-5-1)77(50-24-6-2-7-25-50,51-26-8-3-9-27-51)52-41-43-67-60(47-52)58-33-14-18-36-63(58)74(67)69-44-45-70(75-64-37-19-12-30-55(64)56-31-13-20-38-65(56)75)72-71(69)76-66-39-21-15-32-57(66)59-46-48(40-42-68(59)76)73-61-34-16-10-28-53(61)54-29-11-17-35-62(54)73/h1-47H.

What are the key properties of [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane?

[9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 998.28 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 169052949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).