3-[4,6-bis(4-methylphenyl)-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+)

C52H39N7OPt+2 — CID 168799849

About 3-[4,6-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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 168799849) has the molecular formula C52H39N7OPt+2 and a molecular weight of 973.01 g/mol. Its IUPAC name is 3-[4,6-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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: 168799849
• Molecular Formula: C52H39N7OPt+2
• Molecular Weight: 973.01 g/mol
• Exact Mass: 972.29
• IUPAC Name: 3-[4,6-bis(4-methylphenyl)-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: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc4c5ccccc5n(-c5ccccn5)c4[c-]c3Oc3[c-]c([N+]4=C=[N+](c5cc(C)c(C)c(C)c5)C=C4)ccc3)n2)cc1.[Pt+2]
• InChI: InChI=1S/C52H39N7O.Pt/c1-33-16-20-38(21-17-33)50-54-51(39-22-18-34(2)19-23-39)56-52(55-50)45-30-44-43-13-6-7-14-46(43)59(49-15-8-9-24-53-49)47(44)31-48(45)60-42-12-10-11-40(29-42)57-25-26-58(32-57)41-27-35(3)37(5)36(4)28-41;/h6-28,30H,1-5H3;/q;+2
• InChIKey: SLCRRDUNPLYZQE-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.01
LogP ≤ 5	11.94
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-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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 168799849) is 3-[4,6-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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 Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc4c5ccccc5n(-c5ccccn5)c4[c-]c3Oc3[c-]c([N+]4=C=[N+](c5cc(C)c(C)c(C)c5)C=C4)ccc3)n2)cc1.[Pt+2].

What is the InChIKey of 3-[4,6-bis(4-methylphenyl)-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 SLCRRDUNPLYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N7O.Pt/c1-33-16-20-38(21-17-33)50-54-51(39-22-18-34(2)19-23-39)56-52(55-50)45-30-44-43-13-6-7-14-46(43)59(49-15-8-9-24-53-49)47(44)31-48(45)60-42-12-10-11-40(29-42)57-25-26-58(32-57)41-27-35(3)37(5)36(4)28-41;/h6-28,30H,1-5H3;/q;+2.

What are the key properties of 3-[4,6-bis(4-methylphenyl)-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-bis(4-methylphenyl)-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 973.01 g/mol, XLogP of 11.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis(4-methylphenyl)-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 168799849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).