9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

C35H26N4OPt — CID 153442057

About 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442057) has the molecular formula C35H26N4OPt and a molecular weight of 717.72 g/mol. Its IUPAC name is 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442057
• Molecular Formula: C35H26N4OPt
• Molecular Weight: 717.72 g/mol
• Exact Mass: 717.20
• IUPAC Name: 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C([2H])([2H])[2H])ccc32)c1.[Pt+2]
• InChI: InChI=1S/C35H26N4O.Pt/c1-23-15-18-32-31(20-23)30-17-16-29(22-33(30)38(32)34-14-7-8-19-36-34)40-28-13-9-12-27(21-28)39-25(3)35(24(2)37-39)26-10-5-4-6-11-26;/h4-20H,1-3H3;/q-2;+2/i1D3,7D
• InChIKey: WGRUWFGYUCIBSJ-OCUQYJQMSA-N
• XLogP: 8.35
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.72
LogP ≤ 5	8.35
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-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (CID 153442057) is 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is [2H]c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)ccc4)ccc3c3cc(C([2H])([2H])[2H])ccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WGRUWFGYUCIBSJ-OCUQYJQMSA-N. The full InChI is InChI=1S/C35H26N4O.Pt/c1-23-15-18-32-31(20-23)30-17-16-29(22-33(30)38(32)34-14-7-8-19-36-34)40-28-13-9-12-27(21-28)39-25(3)35(24(2)37-39)26-10-5-4-6-11-26;/h4-20H,1-3H3;/q-2;+2/i1D3,7D;.

What are the key properties of 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 717.72 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).