9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)

C48H52N4OPt — CID 153441109

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441109) has the molecular formula C48H52N4OPt and a molecular weight of 896.05 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441109
• Molecular Formula: C48H52N4OPt
• Molecular Weight: 896.05 g/mol
• Exact Mass: 895.38
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C48H52N4O.Pt/c1-11-41-46(33-16-14-13-15-17-33)42(12-2)52(50-41)36-25-34(31(3)4)26-38(28-36)53-37-19-20-39-40-24-32(30-47(5,6)7)18-21-43(40)51(44(39)29-37)45-27-35(22-23-49-45)48(8,9)10;/h13-27,31H,11-12,30H2,1-10H3;/q-2;+2
• InChIKey: VJRANVSKMBHWBD-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.05
LogP ≤ 5	12.56
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-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441109) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(CC(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is VJRANVSKMBHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O.Pt/c1-11-41-46(33-16-14-13-15-17-33)42(12-2)52(50-41)36-25-34(31(3)4)26-38(28-36)53-37-19-20-39-40-24-32(30-47(5,6)7)18-21-43(40)51(44(39)29-37)45-27-35(22-23-49-45)48(8,9)10;/h13-27,31H,11-12,30H2,1-10H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 896.05 g/mol, XLogP of 12.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-6-(2,2-dimethylpropyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).