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

C44H44N4OPt — CID 153440993

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153440993) 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)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153440993
• Molecular Formula: C44H44N4OPt
• Molecular Weight: 839.94 g/mol
• Exact Mass: 839.32
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)cc(CC(C)(C)C)c4)ccc3c3cc(CC(C)C)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C44H44N4O.Pt/c1-28(2)20-32-14-17-40-39(24-32)38-16-15-36(26-41(38)47(40)42-21-29(3)18-19-45-42)49-37-23-33(27-44(6,7)8)22-35(25-37)48-31(5)43(30(4)46-48)34-12-10-9-11-13-34;/h9-19,21-24,28H,20,27H2,1-8H3;/q-2;+2
• InChIKey: BXBAICXLWFRERP-UHFFFAOYSA-N
• XLogP: 11.13
• 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	11.13
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)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153440993) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6ccccc6)c5C)cc(CC(C)(C)C)c4)ccc3c3cc(CC(C)C)ccc32)c1.[Pt+2].

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

The InChIKey is BXBAICXLWFRERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O.Pt/c1-28(2)20-32-14-17-40-39(24-32)38-16-15-36(26-41(38)47(40)42-21-29(3)18-19-45-42)49-37-23-33(27-44(6,7)8)22-35(25-37)48-31(5)43(30(4)46-48)34-12-10-9-11-13-34;/h9-19,21-24,28H,20,27H2,1-8H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 839.94 g/mol, XLogP of 11.13, 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)-5-(2,2-dimethylpropyl)benzene-2-id-1-yl]oxy-6-(2-methylpropyl)-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153440993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).