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

C39H34N4OPt — CID 153441805

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

6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441805) has the molecular formula C39H34N4OPt and a molecular weight of 770.81 g/mol. Its IUPAC name is 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441805
• Molecular Formula: C39H34N4OPt
• Molecular Weight: 770.81 g/mol
• Exact Mass: 770.24
• IUPAC Name: 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CC(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2]
• InChI: InChI=1S/C39H34N4O.Pt/c1-25(2)19-29-21-31(43-28(5)39(27(4)41-43)30-11-7-6-8-12-30)23-33(22-29)44-32-15-16-35-34-13-9-10-14-36(34)42(37(35)24-32)38-20-26(3)17-18-40-38;/h6-18,20-22,25H,19H2,1-5H3;/q-2;+2/i9D
• InChIKey: LBHYWZACURLWNI-GTIFXZTCSA-N
• XLogP: 9.55
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.81
LogP ≤ 5	9.55
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 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441805) is 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is [2H]c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CC(C)C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2].

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

The InChIKey is LBHYWZACURLWNI-GTIFXZTCSA-N. The full InChI is InChI=1S/C39H34N4O.Pt/c1-25(2)19-29-21-31(43-28(5)39(27(4)41-43)30-11-7-6-8-12-30)23-33(22-29)44-32-15-16-35-34-13-9-10-14-36(34)42(37(35)24-32)38-20-26(3)17-18-40-38;/h6-18,20-22,25H,19H2,1-5H3;/q-2;+2/i9D;.

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

6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 770.81 g/mol, XLogP of 9.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).