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

C43H39F3N4OPt — CID 153415348

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

2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415348) has the molecular formula C43H39F3N4OPt and a molecular weight of 879.88 g/mol. Its IUPAC name is 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415348
• Molecular Formula: C43H39F3N4OPt
• Molecular Weight: 879.88 g/mol
• Exact Mass: 879.27
• IUPAC Name: 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1c(-c2ccc(CCC)cc2)c(CCC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(F)(F)F)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C43H39F3N4O.Pt/c1-4-7-16-39-42(30-20-18-29(11-5-2)19-21-30)37(12-6-3)48-50(39)32-13-10-14-33(27-32)51-34-22-23-36-35-15-8-9-17-38(35)49(40(36)28-34)41-26-31(24-25-47-41)43(44,45)46;/h8-10,13-15,17-26H,4-7,11-12,16H2,1-3H3;/q-2;+2
• InChIKey: FYPGYUCPTOAZCN-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.88
LogP ≤ 5	11.69
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-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415348) is 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCCCc1c(-c2ccc(CCC)cc2)c(CCC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(F)(F)F)ccn2)ccc1.[Pt+2].

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

The InChIKey is FYPGYUCPTOAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39F3N4O.Pt/c1-4-7-16-39-42(30-20-18-29(11-5-2)19-21-30)37(12-6-3)48-50(39)32-13-10-14-33(27-32)51-34-22-23-36-35-15-8-9-17-38(35)49(40(36)28-34)41-26-31(24-25-47-41)43(44,45)46;/h8-10,13-15,17-26H,4-7,11-12,16H2,1-3H3;/q-2;+2.

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

2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 879.88 g/mol, XLogP of 11.69, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).