2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C45H38N4OPt — CID 153415571

About 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415571) has the molecular formula C45H38N4OPt and a molecular weight of 845.90 g/mol. Its IUPAC name is 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415571
• Molecular Formula: C45H38N4OPt
• Molecular Weight: 845.90 g/mol
• Exact Mass: 845.27
• IUPAC Name: 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-n2nc(C(C)C)c(-c3ccccc3)c2-c2ccccc2)c1.[Pt+2]
• InChI: InChI=1S/C45H38N4O.Pt/c1-29(2)34-22-23-46-42(26-34)48-40-19-13-12-18-38(40)39-21-20-36(28-41(39)48)50-37-25-31(5)24-35(27-37)49-45(33-16-10-7-11-17-33)43(44(47-49)30(3)4)32-14-8-6-9-15-32;/h6-26,29-30H,1-5H3;/q-2;+2
• InChIKey: YRKNLBMLAZJSLK-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.90
LogP ≤ 5	11.64
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-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415571) is 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-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-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-n2nc(C(C)C)c(-c3ccccc3)c2-c2ccccc2)c1.[Pt+2].

What is the InChIKey of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YRKNLBMLAZJSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O.Pt/c1-29(2)34-22-23-46-42(26-34)48-40-19-13-12-18-38(40)39-21-20-36(28-41(39)48)50-37-25-31(5)24-35(27-37)49-45(33-16-10-7-11-17-33)43(44(47-49)30(3)4)32-14-8-6-9-15-32;/h6-26,29-30H,1-5H3;/q-2;+2.

What are the key properties of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 845.90 g/mol, XLogP of 11.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).