[5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane

C50H34N6Si — CID 172515183

About [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane

[5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane (PubChem CID 172515183) has the molecular formula C50H34N6Si and a molecular weight of 746.95 g/mol. Its IUPAC name is [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane.

Molecular Properties

• Compound Name: [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane
• PubChem CID: 172515183
• Molecular Formula: C50H34N6Si
• Molecular Weight: 746.95 g/mol
• Exact Mass: 746.26
• IUPAC Name: [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cncc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C50H34N6Si/c1-4-18-36(19-5-1)57(37-20-6-2-7-21-37,38-22-8-3-9-23-38)39-32-35(33-51-34-39)48-52-49(55-44-28-14-10-24-40(44)41-25-11-15-29-45(41)55)54-50(53-48)56-46-30-16-12-26-42(46)43-27-13-17-31-47(43)56/h1-34H
• InChIKey: GZLLQLOOPOJMLH-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.95
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane?

The IUPAC name of [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane (CID 172515183) is [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane.

What is the SMILES notation for [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane?

The canonical SMILES for [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cncc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.

What is the InChIKey of [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane?

The InChIKey is GZLLQLOOPOJMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6Si/c1-4-18-36(19-5-1)57(37-20-6-2-7-21-37,38-22-8-3-9-23-38)39-32-35(33-51-34-39)48-52-49(55-44-28-14-10-24-40(44)41-25-11-15-29-45(41)55)54-50(53-48)56-46-30-16-12-26-42(46)43-27-13-17-31-47(43)56/h1-34H.

What are the key properties of [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane?

[5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane has a molecular weight of 746.95 g/mol, XLogP of 8.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-pyridinyl]-triphenylsilane is sourced from PubChem (CID 172515183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).