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

C38H32N4OPt — CID 153441461

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441461) has the molecular formula C38H32N4OPt and a molecular weight of 755.78 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441461
• Molecular Formula: C38H32N4OPt
• Molecular Weight: 755.78 g/mol
• Exact Mass: 755.22
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2]
• InChI: InChI=1S/C38H32N4O.Pt/c1-6-28-12-15-35-34(21-28)33-14-13-31(23-36(33)41(35)37-20-24(2)16-17-39-37)43-32-19-25(3)18-30(22-32)42-27(5)38(26(4)40-42)29-10-8-7-9-11-29;/h7-21H,6H2,1-5H3;/q-2;+2
• InChIKey: GRAXOPYVEIWIJN-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.78
LogP ≤ 5	9.22
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 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441461) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(C)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2].

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

The InChIKey is GRAXOPYVEIWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O.Pt/c1-6-28-12-15-35-34(21-28)33-14-13-31(23-36(33)41(35)37-20-24(2)16-17-39-37)43-32-19-25(3)18-30(22-32)42-27(5)38(26(4)40-42)29-10-8-7-9-11-29;/h7-21H,6H2,1-5H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 755.78 g/mol, XLogP of 9.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-6-ethyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).