2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C49H51F3N4OPt — CID 153415218

About 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415218) has the molecular formula C49H51F3N4OPt and a molecular weight of 964.05 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415218
• Molecular Formula: C49H51F3N4OPt
• Molecular Weight: 964.05 g/mol
• Exact Mass: 963.37
• IUPAC Name: 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccc(-c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(F)(F)F)ccn4)cc(C(C)(C)C)c3)c2C(C)(C)C)cc1.[Pt+2]
• InChI: InChI=1S/C49H51F3N4O.Pt/c1-45(2,3)31-19-17-30(18-20-31)42-43(47(7,8)9)54-56(44(42)48(10,11)12)34-25-33(46(4,5)6)26-36(28-34)57-35-21-22-38-37-15-13-14-16-39(37)55(40(38)29-35)41-27-32(23-24-53-41)49(50,51)52;/h13-27H,1-12H3;/q-2;+2
• InChIKey: ALTNXBIQHNPUNU-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.05
LogP ≤ 5	13.63
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-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415218) is 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccc(-c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(F)(F)F)ccn4)cc(C(C)(C)C)c3)c2C(C)(C)C)cc1.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ALTNXBIQHNPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51F3N4O.Pt/c1-45(2,3)31-19-17-30(18-20-31)42-43(47(7,8)9)54-56(44(42)48(10,11)12)34-25-33(46(4,5)6)26-36(28-34)57-35-21-22-38-37-15-13-14-16-39(37)55(40(38)29-35)41-27-32(23-24-53-41)49(50,51)52;/h13-27H,1-12H3;/q-2;+2.

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

2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 964.05 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).