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

C44H44N4OPt — CID 153441323

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441323) has the molecular formula C44H44N4OPt and a molecular weight of 839.94 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441323
• Molecular Formula: C44H44N4OPt
• Molecular Weight: 839.94 g/mol
• Exact Mass: 839.32
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCC(C)(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CC(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C44H44N4O.Pt/c1-9-44(7,8)33-18-21-39-38(25-33)37-20-19-36(27-40(37)47(39)41-24-31(22-23-45-41)28-43(4,5)6)49-35-17-13-16-34(26-35)48-30(3)42(29(2)46-48)32-14-11-10-12-15-32;/h10-25H,9,28H2,1-8H3;/q-2;+2
• InChIKey: ZUYLIJNUDUVDSN-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.94
LogP ≤ 5	11.31
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-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153441323) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) is CCC(C)(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CC(C)(C)C)ccn1.[Pt+2].

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

The InChIKey is ZUYLIJNUDUVDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O.Pt/c1-9-44(7,8)33-18-21-39-38(25-33)37-20-19-36(27-40(37)47(39)41-24-31(22-23-45-41)28-43(4,5)6)49-35-17-13-16-34(26-35)48-30(3)42(29(2)46-48)32-14-11-10-12-15-32;/h10-25H,9,28H2,1-8H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 839.94 g/mol, XLogP of 11.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-(2-methylbutan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).