2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+)

C50H43N7OPt+2 — CID 168799764

About 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799764) has the molecular formula C50H43N7OPt+2 and a molecular weight of 953.02 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799764
• Molecular Formula: C50H43N7OPt+2
• Molecular Weight: 953.02 g/mol
• Exact Mass: 952.32
• IUPAC Name: 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)C=C1.[Pt+2]
• InChI: InChI=1S/C50H43N7O.Pt/c1-49(2,3)35-22-23-51-45(28-35)57-42-21-15-14-20-39(42)40-30-41(48-53-46(33-16-10-8-11-17-33)52-47(54-48)34-18-12-9-13-19-34)44(31-43(40)57)58-38-27-36(50(4,5)6)26-37(29-38)56-25-24-55(7)32-56;/h8-28,30H,1-7H3;/q;+2
• InChIKey: FLENSFFDOFPABQ-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.02
LogP ≤ 5	11.29
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 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 168799764) is 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)C=C1.[Pt+2].

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

The InChIKey is FLENSFFDOFPABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N7O.Pt/c1-49(2,3)35-22-23-51-45(28-35)57-42-21-15-14-20-39(42)40-30-41(48-53-46(33-16-10-8-11-17-33)52-47(54-48)34-18-12-9-13-19-34)44(31-43(40)57)58-38-27-36(50(4,5)6)26-37(29-38)56-25-24-55(7)32-56;/h8-28,30H,1-7H3;/q;+2.

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

2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 953.02 g/mol, XLogP of 11.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).