9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

C43H43N5OPt-2 — CID 171765275

About 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 171765275) has the molecular formula C43H43N5OPt-2 and a molecular weight of 842.94 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 171765275
• Molecular Formula: C43H43N5OPt-2
• Molecular Weight: 842.94 g/mol
• Exact Mass: 842.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])[n+](-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cnc1.[Pt]
• InChI: InChI=1S/C43H43N5O.Pt/c1-41(2,3)29-16-17-45-40(23-29)48-38-13-11-10-12-36(38)37-15-14-34(25-39(37)48)49-35-24-33(26-44-27-35)47-19-18-46(28-47)32-21-30(42(4,5)6)20-31(22-32)43(7,8)9;/h10-23,26-27H,1-9H3;/q-2;/i18D,19D
• InChIKey: ZPYQINOGWNVFPO-BHZSVYRESA-N
• XLogP: 9.72
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.94
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (CID 171765275) is 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])[n+](-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cnc1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is ZPYQINOGWNVFPO-BHZSVYRESA-N. The full InChI is InChI=1S/C43H43N5O.Pt/c1-41(2,3)29-16-17-45-40(23-29)48-38-13-11-10-12-36(38)37-15-14-34(25-39(37)48)49-35-24-33(26-44-27-35)47-19-18-46(28-47)32-21-30(42(4,5)6)20-31(22-32)43(7,8)9;/h10-23,26-27H,1-9H3;/q-2;/i18D,19D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 842.94 g/mol, XLogP of 9.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[4,5-dideuterio-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).