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

C41H38N4OPt — CID 153442538

About 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442538) has the molecular formula C41H38N4OPt and a molecular weight of 797.86 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442538
• Molecular Formula: C41H38N4OPt
• Molecular Weight: 797.86 g/mol
• Exact Mass: 797.27
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)C)ccc3n4-c3cc(CC(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C41H38N4O.Pt/c1-26(2)21-30-19-20-42-40(22-30)44-38-18-15-32(27(3)4)23-37(38)36-17-16-35(25-39(36)44)46-34-14-10-13-33(24-34)45-29(6)41(28(5)43-45)31-11-8-7-9-12-31;/h7-20,22-23,26-27H,21H2,1-6H3;/q-2;+2
• InChIKey: JHSXHVUZLKGYQU-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.86
LogP ≤ 5	10.36
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-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153442538) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)C)ccc3n4-c3cc(CC(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is JHSXHVUZLKGYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.Pt/c1-26(2)21-30-19-20-42-40(22-30)44-38-18-15-32(27(3)4)23-37(38)36-17-16-35(25-39(36)44)46-34-14-10-13-33(24-34)45-29(6)41(28(5)43-45)31-11-8-7-9-12-31;/h7-20,22-23,26-27H,21H2,1-6H3;/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-methylpropyl)-2-pyridinyl]-6-propan-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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 797.86 g/mol, XLogP of 10.36, 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-methylpropyl)-2-pyridinyl]-6-propan-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).