9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

C51H37N3O2Pt — CID 170543596

About 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 170543596) has the molecular formula C51H37N3O2Pt and a molecular weight of 921.97 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 170543596
• Molecular Formula: C51H37N3O2Pt
• Molecular Weight: 921.97 g/mol
• Exact Mass: 921.27
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2cc(-c4ccccc4)ccc23)cc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C51H37N3O2.Pt/c1-32-31-53-45(30-42(32)34-15-9-6-10-16-34)44-28-38(27-43-41-21-19-35(25-48(41)56-50(43)44)33-13-7-5-8-14-33)55-37-20-22-40-39-17-11-12-18-46(39)54(47(40)29-37)49-26-36(23-24-52-49)51(2,3)4;/h5-27,30-31H,1-4H3;/q-2;+2/i1D3
• InChIKey: IOQGGAYSDSKPIB-NIIDSAIPSA-N
• XLogP: 13.47
• TPSA: 53.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.97
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (CID 170543596) is 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2cc(-c4ccccc4)ccc23)cc1-c1ccccc1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is IOQGGAYSDSKPIB-NIIDSAIPSA-N. The full InChI is InChI=1S/C51H37N3O2.Pt/c1-32-31-53-45(30-42(32)34-15-9-6-10-16-34)44-28-38(27-43-41-21-19-35(25-48(41)56-50(43)44)33-13-7-5-8-14-33)55-37-20-22-40-39-17-11-12-18-46(39)54(47(40)29-37)49-26-36(23-24-52-49)51(2,3)4;/h5-27,30-31H,1-4H3;/q-2;+2/i1D3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 921.97 g/mol, XLogP of 13.47, 7 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-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 170543596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).