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

C51H58N4OPt — CID 153413353

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413353) has the molecular formula C51H58N4OPt and a molecular weight of 938.13 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413353
• Molecular Formula: C51H58N4OPt
• Molecular Weight: 938.13 g/mol
• Exact Mass: 937.43
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1c(CC(C)C)c(CC(C)C)c(CC(C)C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C51H58N4O.Pt/c1-10-15-43-45(25-33(3)4)47(27-35(7)8)46(26-34(5)6)44(16-11-2)51(43)37-31-53-54(32-37)38-17-14-18-39(29-38)56-40-21-22-42-41-19-12-13-20-48(41)55(49(42)30-40)50-28-36(9)23-24-52-50;/h12-14,17-24,28,31-35H,10-11,15-16,25-27H2,1-9H3;/q-2;+2
• InChIKey: SDCZNSHOTPYGGA-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.13
LogP ≤ 5	13.23
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 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413353) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1c(CC(C)C)c(CC(C)C)c(CC(C)C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is SDCZNSHOTPYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N4O.Pt/c1-10-15-43-45(25-33(3)4)47(27-35(7)8)46(26-34(5)6)44(16-11-2)51(43)37-31-53-54(32-37)38-17-14-18-39(29-38)56-40-21-22-42-41-19-12-13-20-48(41)55(49(42)30-40)50-28-36(9)23-24-52-50;/h12-14,17-24,28,31-35H,10-11,15-16,25-27H2,1-9H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 938.13 g/mol, XLogP of 13.23, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-tris(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).