5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)

C51H53N5OPt+2 — CID 162465833

About 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)

5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+) (PubChem CID 162465833) has the molecular formula C51H53N5OPt+2 and a molecular weight of 951.12 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
• PubChem CID: 162465833
• Molecular Formula: C51H53N5OPt+2
• Molecular Weight: 951.12 g/mol
• Exact Mass: 950.41
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(Oc3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1c(C(C)(C)C)cccc1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C51H53N5O.Pt/c1-48(2,3)33-24-26-52-45(29-33)56-43-21-16-25-53-46(43)38-23-22-36(31-44(38)56)57-37-28-34(49(4,5)6)27-35(30-37)54-32-55(42-20-14-13-19-41(42)54)47-39(50(7,8)9)17-15-18-40(47)51(10,11)12;/h13-29H,1-12H3;/q;+2/i13D,14D,19D,20D
• InChIKey: IMMYNBGCURDPCD-YZNGATCISA-N
• XLogP: 13.01
• TPSA: 45.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.12
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+) (CID 162465833) is 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+) is [2H]c1c([2H])c([2H])c2c(c1[2H])[N+](c1[c-]c(Oc3[c-]c4c(cc3)c3ncccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c1)=C=[N+]2c1c(C(C)(C)C)cccc1C(C)(C)C.[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)?

The InChIKey is IMMYNBGCURDPCD-YZNGATCISA-N. The full InChI is InChI=1S/C51H53N5O.Pt/c1-48(2,3)33-24-26-52-45(29-33)56-43-21-16-25-53-46(43)38-23-22-36(31-44(38)56)57-37-28-34(49(4,5)6)27-35(30-37)54-32-55(42-20-14-13-19-41(42)54)47-39(50(7,8)9)17-15-18-40(47)51(10,11)12;/h13-29H,1-12H3;/q;+2/i13D,14D,19D,20D;.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+)?

5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+) has a molecular weight of 951.12 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[3-tert-butyl-5-[4,5,6,7-tetradeuterio-3-(2,6-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]benzene-6-id-1-yl]oxy-6H-pyrido[3,2-b]indol-6-ide;platinum(2+) is sourced from PubChem (CID 162465833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).