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

C₅₂H₅₇F₃N₄OPt — CID 153415051

About 2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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 153415051) has the molecular formula C₅₂H₅₇F₃N₄OPt and a molecular weight of 1006.13 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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: 153415051
• Molecular Formula: C₅₂H₅₇F₃N₄OPt
• Molecular Weight: 1006.13 g/mol
• Exact Mass: 1005.41
• IUPAC Name: 2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)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/C52H57F3N4O.Pt/c1-31(2)22-45-47(33-23-35(49(5,6)7)25-36(24-33)50(8,9)10)48(32(3)4)57-59(45)38-26-37(51(11,12)13)27-40(29-38)60-39-18-19-42-41-16-14-15-17-43(41)58(44(42)30-39)46-28-34(20-21-56-46)52(53,54)55;/h14-21,23-28,31-32H,22H2,1-13H3;/q-2;+2
• InChIKey: NVGKPJJTXDCTIY-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.13
LogP ≤ 5	14.65
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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415051) is 2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CC(C)Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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 NVGKPJJTXDCTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57F3N4O.Pt/c1-31(2)22-45-47(33-23-35(49(5,6)7)25-36(24-33)50(8,9)10)48(32(3)4)57-59(45)38-26-37(51(11,12)13)27-40(29-38)60-39-18-19-42-41-16-14-15-17-43(41)58(44(42)30-39)46-28-34(20-21-56-46)52(53,54)55;/h14-21,23-28,31-32H,22H2,1-13H3;/q-2;+2.

What are the key properties of 2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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 1006.13 g/mol, XLogP of 14.65, 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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-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 153415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415051 — identifiers, structure, computed properties (public domain)

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