2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C₄₇H₅₀N₄OPt — CID 153416506

About 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416506) has the molecular formula C₄₇H₅₀N₄OPt and a molecular weight of 882.02 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416506
• Molecular Formula: C₄₇H₅₀N₄OPt
• Molecular Weight: 882.02 g/mol
• Exact Mass: 881.36
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1cc(C)cc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pt+2]
• InChI: InChI=1S/C47H50N4O.Pt/c1-12-32-22-29(3)23-33(13-2)45(32)44-30(4)49-51(31(44)5)36-24-35(47(9,10)11)25-38(27-36)52-37-18-19-40-39-16-14-15-17-41(39)50(42(40)28-37)43-26-34(20-21-48-43)46(6,7)8;/h14-26H,12-13H2,1-11H3;/q-2;+2
• InChIKey: BGZVOGQLGJXKQX-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.02
LogP ≤ 5	12.07
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-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416506) is 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1cc(C)cc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pt+2].

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

The InChIKey is BGZVOGQLGJXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pt/c1-12-32-22-29(3)23-33(13-2)45(32)44-30(4)49-51(31(44)5)36-24-35(47(9,10)11)25-38(27-36)52-37-18-19-40-39-16-14-15-17-41(39)50(42(40)28-37)43-26-34(20-21-48-43)46(6,7)8;/h14-26H,12-13H2,1-11H3;/q-2;+2.

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

2-[3-tert-butyl-5-[4-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 882.02 g/mol, XLogP of 12.07, 7 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-(2,6-diethyl-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153416506 — identifiers, structure, computed properties (public domain)

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