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

C39H34N4OPt — CID 153412999

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

9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412999) has the molecular formula C39H34N4OPt and a molecular weight of 769.81 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412999
• Molecular Formula: C39H34N4OPt
• Molecular Weight: 769.81 g/mol
• Exact Mass: 769.24
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(C)cc6C)cn5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C39H34N4O.Pt/c1-24(2)29-18-31(42-23-30(22-41-42)39-27(5)15-26(4)16-28(39)6)20-33(19-29)44-32-11-12-35-34-9-7-8-10-36(34)43(37(35)21-32)38-17-25(3)13-14-40-38;/h7-19,22-24H,1-6H3;/q-2;+2
• InChIKey: JAGQQCXTPIQLGU-UHFFFAOYSA-N
• XLogP: 9.78
• 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	9.78
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-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153412999) is 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(C)cc6C)cn5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is JAGQQCXTPIQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O.Pt/c1-24(2)29-18-31(42-23-30(22-41-42)39-27(5)15-26(4)16-28(39)6)20-33(19-29)44-32-11-12-35-34-9-7-8-10-36(34)43(37(35)21-32)38-17-25(3)13-14-40-38;/h7-19,22-24H,1-6H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 769.81 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-propan-2-yl-5-[4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).