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

C39H34N4OPt — CID 153417447

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

2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417447) has the molecular formula C39H34N4OPt and a molecular weight of 769.81 g/mol. Its IUPAC name is 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417447
• Molecular Formula: C39H34N4OPt
• Molecular Weight: 769.81 g/mol
• Exact Mass: 769.24
• IUPAC Name: 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1c(C)ccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pt+2]
• InChI: InChI=1S/C39H34N4O.Pt/c1-7-32-25(3)15-16-26(4)38(32)39-27(5)41-43(28(39)6)29-11-10-12-30(22-29)44-31-17-18-34-33-13-8-9-14-35(33)42(36(34)23-31)37-21-24(2)19-20-40-37;/h8-21H,7H2,1-6H3;/q-2;+2
• InChIKey: YJYUKRMJHUGKTH-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.81
LogP ≤ 5	9.53
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-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417447) is 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1c(C)ccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pt+2].

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

The InChIKey is YJYUKRMJHUGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O.Pt/c1-7-32-25(3)15-16-26(4)38(32)39-27(5)41-43(28(39)6)29-11-10-12-30(22-29)44-31-17-18-34-33-13-8-9-14-35(33)42(36(34)23-31)37-21-24(2)19-20-40-37;/h8-21H,7H2,1-6H3;/q-2;+2.

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

2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 769.81 g/mol, XLogP of 9.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-ethyl-3,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).