2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C39H34N4O3Pt — CID 153416939

About 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416939) has the molecular formula C39H34N4O3Pt and a molecular weight of 801.80 g/mol. Its IUPAC name is 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416939
• Molecular Formula: C39H34N4O3Pt
• Molecular Weight: 801.80 g/mol
• Exact Mass: 801.23
• IUPAC Name: 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OC)c1-c1c(C)cc(C)c(C)c1C.[Pt+2]
• InChI: InChI=1S/C39H34N4O3.Pt/c1-23-17-18-40-35(19-23)42-33-14-9-8-13-31(33)32-16-15-30(22-34(32)42)46-29-12-10-11-28(21-29)43-39(45-7)37(38(41-43)44-6)36-25(3)20-24(2)26(4)27(36)5;/h8-20H,1-7H3;/q-2;+2
• InChIKey: BEELDRJYRLIHRU-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.80
LogP ≤ 5	8.98
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-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416939) is 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OC)c1-c1c(C)cc(C)c(C)c1C.[Pt+2].

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

The InChIKey is BEELDRJYRLIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O3.Pt/c1-23-17-18-40-35(19-23)42-33-14-9-8-13-31(33)32-16-15-30(22-34(32)42)46-29-12-10-11-28(21-29)43-39(45-7)37(38(41-43)44-6)36-25(3)20-24(2)26(4)27(36)5;/h8-20H,1-7H3;/q-2;+2.

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

2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 801.80 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).