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

C50H53N7OPt+2 — CID 168799770

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

6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799770) has the molecular formula C50H53N7OPt+2 and a molecular weight of 963.10 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799770
• Molecular Formula: C50H53N7OPt+2
• Molecular Weight: 963.10 g/mol
• Exact Mass: 962.39
• IUPAC Name: 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C50H53N7O.Pt/c1-47(2,3)31-21-22-38-35(26-31)36-28-37(44-52-45(49(7,8)9)54-46(53-44)50(10,11)12)42(29-41(36)57(38)43-20-16-17-23-51-43)58-34-25-32(48(4,5)6)24-33(27-34)56-30-55(13)39-18-14-15-19-40(39)56;/h14-26,28H,1-13H3;/q;+2
• InChIKey: XKFSSPGVOHNDGL-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.10
LogP ≤ 5	11.91
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 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168799770) is 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2].

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

The InChIKey is XKFSSPGVOHNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53N7O.Pt/c1-47(2,3)31-21-22-38-35(26-31)36-28-37(44-52-45(49(7,8)9)54-46(53-44)50(10,11)12)42(29-41(36)57(38)43-20-16-17-23-51-43)58-34-25-32(48(4,5)6)24-33(27-34)56-30-55(13)39-18-14-15-19-40(39)56;/h14-26,28H,1-13H3;/q;+2.

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

6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 963.10 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).