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

C36H28N4OPt — CID 153413908

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413908) has the molecular formula C36H28N4OPt and a molecular weight of 727.73 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413908
• Molecular Formula: C36H28N4OPt
• Molecular Weight: 727.73 g/mol
• Exact Mass: 727.19
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)ccc(C)c6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C36H28N4O.Pt/c1-23-16-17-37-35(18-23)40-33-11-6-5-10-31(33)32-15-14-30(20-34(32)40)41-29-9-7-8-28(19-29)39-22-27(21-38-39)36-25(3)13-12-24(2)26(36)4;/h5-18,21-22H,1-4H3;/q-2;+2
• InChIKey: AFHZDWHXVNKGST-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.73
LogP ≤ 5	8.66
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-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413908) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)ccc(C)c6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is AFHZDWHXVNKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O.Pt/c1-23-16-17-37-35(18-23)40-33-11-6-5-10-31(33)32-15-14-30(20-34(32)40)41-29-9-7-8-28(19-29)39-22-27(21-38-39)36-25(3)13-12-24(2)26(36)4;/h5-18,21-22H,1-4H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 727.73 g/mol, XLogP of 8.66, 5 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-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).