3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C50H35N7OPt+2 — CID 168799780

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799780) has the molecular formula C50H35N7OPt+2 and a molecular weight of 944.96 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799780
• Molecular Formula: C50H35N7OPt+2
• Molecular Weight: 944.96 g/mol
• Exact Mass: 944.25
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc4n5-c4ccccn4)ccc3)C=C2)cc(C)c1C.[Pt+2]
• InChI: InChI=1S/C50H35N7O.Pt/c1-33-27-39(28-34(2)35(33)3)56-26-25-55(32-56)38-19-14-20-40(29-38)58-46-31-45-42(41-21-10-11-22-44(41)57(45)47-23-12-13-24-51-47)30-43(46)50-53-48(36-15-6-4-7-16-36)52-49(54-50)37-17-8-5-9-18-37;/h4-28,30H,1-3H3;/q;+2
• InChIKey: NUVHFMWQNJUJIT-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.96
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 168799780) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc4n5-c4ccccn4)ccc3)C=C2)cc(C)c1C.[Pt+2].

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NUVHFMWQNJUJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N7O.Pt/c1-33-27-39(28-34(2)35(33)3)56-26-25-55(32-56)38-19-14-20-40(29-38)58-46-31-45-42(41-21-10-11-22-44(41)57(45)47-23-12-13-24-51-47)30-43(46)50-53-48(36-15-6-4-7-16-36)52-49(54-50)37-17-8-5-9-18-37;/h4-28,30H,1-3H3;/q;+2.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 944.96 g/mol, XLogP of 11.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-2-[3-[3-(3,4,5-trimethylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).