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

C₄₉H₅₁F₃N₄OPt — CID 153415275

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

2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415275) has the molecular formula C₄₉H₅₁F₃N₄OPt and a molecular weight of 964.05 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415275
• Molecular Formula: C₄₉H₅₁F₃N₄OPt
• Molecular Weight: 964.05 g/mol
• Exact Mass: 963.37
• IUPAC Name: 2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCC(C)(C)c1c(-c2ccc(C(C)(C)C)cc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(F)(F)F)ccn2)cc(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C49H51F3N4O.Pt/c1-12-48(10,11)45-43(31-17-19-32(20-18-31)46(4,5)6)44(30(2)3)54-56(45)35-25-34(47(7,8)9)26-37(28-35)57-36-21-22-39-38-15-13-14-16-40(38)55(41(39)29-36)42-27-33(23-24-53-42)49(50,51)52;/h13-27,30H,12H2,1-11H3;/q-2;+2
• InChIKey: SGGGRGKAJYPSBU-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.05
LogP ≤ 5	13.85
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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415275) is 2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCC(C)(C)c1c(-c2ccc(C(C)(C)C)cc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(F)(F)F)ccn2)cc(C(C)(C)C)c1.[Pt+2].

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

The InChIKey is SGGGRGKAJYPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51F3N4O.Pt/c1-12-48(10,11)45-43(31-17-19-32(20-18-31)46(4,5)6)44(30(2)3)54-56(45)35-25-34(47(7,8)9)26-37(28-35)57-36-21-22-39-38-15-13-14-16-40(38)55(41(39)29-36)42-27-33(23-24-53-42)49(50,51)52;/h13-27,30H,12H2,1-11H3;/q-2;+2.

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

2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-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 13.85, 8 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-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415275 — identifiers, structure, computed properties (public domain)

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