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

C43H42N4OPt — CID 153442023

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442023) has the molecular formula C43H42N4OPt and a molecular weight of 825.91 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442023
• Molecular Formula: C43H42N4OPt
• Molecular Weight: 825.91 g/mol
• Exact Mass: 825.30
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)C(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C43H42N4O.Pt/c1-27(2)28(3)32-17-20-39-38(23-32)37-19-18-36(26-40(37)46(39)41-24-33(21-22-44-41)43(6,7)8)48-35-16-12-15-34(25-35)47-30(5)42(29(4)45-47)31-13-10-9-11-14-31;/h9-24,27-28H,1-8H3;/q-2;+2
• InChIKey: SZAFLXRYWAOENN-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.91
LogP ≤ 5	11.10
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153442023) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)C(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2].

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

The InChIKey is SZAFLXRYWAOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pt/c1-27(2)28(3)32-17-20-39-38(23-32)37-19-18-36(26-40(37)46(39)41-24-33(21-22-44-41)43(6,7)8)48-35-16-12-15-34(25-35)47-30(5)42(29(4)45-47)31-13-10-9-11-14-31;/h9-24,27-28H,1-8H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 825.91 g/mol, XLogP of 11.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(3-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).