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

C38H32N4O3PtS — CID 153412817

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

2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412817) has the molecular formula C38H32N4O3PtS and a molecular weight of 819.84 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412817
• Molecular Formula: C38H32N4O3PtS
• Molecular Weight: 819.84 g/mol
• Exact Mass: 819.18
• IUPAC Name: 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C38H32N4O3S.Pt/c1-24(2)27-15-16-39-37(19-27)42-35-12-7-6-11-33(35)34-14-13-31(21-36(34)42)45-30-10-8-9-29(20-30)41-23-28(22-40-41)38-25(3)17-32(18-26(38)4)46(5,43)44;/h6-19,22-24H,1-5H3;/q-2;+2
• InChIKey: NBEDIKPKBLDMRR-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 79.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.84
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412817) is 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(S(C)(=O)=O)cc(C)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is NBEDIKPKBLDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O3S.Pt/c1-24(2)27-15-16-39-37(19-27)42-35-12-7-6-11-33(35)34-14-13-31(21-36(34)42)45-30-10-8-9-29(20-30)41-23-28(22-40-41)38-25(3)17-32(18-26(38)4)46(5,43)44;/h6-19,22-24H,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 819.84 g/mol, XLogP of 8.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).