2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum

C41H36N3OPt-3 — CID 153418118

About 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum

2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum (PubChem CID 153418118) has the molecular formula C41H36N3OPt-3 and a molecular weight of 781.84 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 153418118
• Molecular Formula: C41H36N3OPt-3
• Molecular Weight: 781.84 g/mol
• Exact Mass: 781.25
• IUPAC Name: 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum
• SMILES: CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C)c3)cc(C)c2)c1C.[Pt]
• InChI: InChI=1S/C41H36N3O.Pt/c1-7-30-14-12-15-31(8-2)41(30)40-28(5)42-44(29(40)6)33-22-27(4)23-35(24-33)45-34-19-20-37-36-17-9-10-18-38(36)43(39(37)25-34)32-16-11-13-26(3)21-32;/h9-15,17-23H,7-8H2,1-6H3;/q-3
• InChIKey: ZRUCIQVDBQALMT-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 31.98 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.84
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum (CID 153418118) is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum is CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C)c3)cc(C)c2)c1C.[Pt].

What is the InChIKey of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is ZRUCIQVDBQALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N3O.Pt/c1-7-30-14-12-15-31(8-2)41(30)40-28(5)42-44(29(40)6)33-22-27(4)23-35(24-33)45-34-19-20-37-36-17-9-10-18-38(36)43(39(37)25-34)32-16-11-13-26(3)21-32;/h9-15,17-23H,7-8H2,1-6H3;/q-3;.

What are the key properties of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum?

2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 781.84 g/mol, XLogP of 10.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(3-methylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153418118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).