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

C35H23F3N4OPt — CID 153415302

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

2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415302) has the molecular formula C35H23F3N4OPt and a molecular weight of 767.67 g/mol. Its IUPAC name is 2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-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-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415302
• Molecular Formula: C35H23F3N4OPt
• Molecular Weight: 767.67 g/mol
• Exact Mass: 767.15
• IUPAC Name: 2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C35H23F3N4O.Pt/c1-22-17-18-39-32(19-22)41-30-14-7-6-13-28(30)29-16-15-27(21-31(29)41)43-26-12-8-11-25(20-26)42-34(35(36,37)38)33(23(2)40-42)24-9-4-3-5-10-24;/h3-19H,1-2H3;/q-2;+2
• InChIKey: MTLCRHHWIKXBLN-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.67
LogP ≤ 5	9.06
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-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-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-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415302) is 2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-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-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-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-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is MTLCRHHWIKXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F3N4O.Pt/c1-22-17-18-39-32(19-22)41-30-14-7-6-13-28(30)29-16-15-27(21-31(29)41)43-26-12-8-11-25(20-26)42-34(35(36,37)38)33(23(2)40-42)24-9-4-3-5-10-24;/h3-19H,1-2H3;/q-2;+2.

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

2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 767.67 g/mol, XLogP of 9.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).