sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide

C56H35N5Na- — CID 167399574

About sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide

sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide (PubChem CID 167399574) has the molecular formula C56H35N5Na- and a molecular weight of 800.92 g/mol. Its IUPAC name is sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide.

Molecular Properties

• Compound Name: sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide
• PubChem CID: 167399574
• Molecular Formula: C56H35N5Na-
• Molecular Weight: 800.92 g/mol
• Exact Mass: 800.28
• IUPAC Name: sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide
• SMILES: [Na+].[c-]1cc(-c2ncc(-c3ccccc3-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1[c-]cc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C56H35N5.Na/c1-5-17-39(18-6-1)46-25-13-14-26-47(46)44-36-50(56-59-54(41-19-7-2-8-20-41)58-55(60-56)42-21-9-3-10-22-42)53(57-37-44)40-31-29-38(30-32-40)43-33-34-52-49(35-43)48-27-15-16-28-51(48)61(52)45-23-11-4-12-24-45;/h1-29,31-32,34-37H;/q-2;+1
• InChIKey: YXCDXDYNCNODJI-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.92
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide?

The IUPAC name of sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide (CID 167399574) is sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide.

What is the SMILES notation for sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide?

The canonical SMILES for sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide is [Na+].[c-]1cc(-c2ncc(-c3ccccc3-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1[c-]cc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide?

The InChIKey is YXCDXDYNCNODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5.Na/c1-5-17-39(18-6-1)46-25-13-14-26-47(46)44-36-50(56-59-54(41-19-7-2-8-20-41)58-55(60-56)42-21-9-3-10-22-42)53(57-37-44)40-31-29-38(30-32-40)43-33-34-52-49(35-43)48-27-15-16-28-51(48)61(52)45-23-11-4-12-24-45;/h1-29,31-32,34-37H;/q-2;+1.

What are the key properties of sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide?

sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide has a molecular weight of 800.92 g/mol, XLogP of 10.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-9-phenyl-2H-carbazol-2-ide is sourced from PubChem (CID 167399574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).