6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C41H38N4OPt — CID 153441305

About 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441305) has the molecular formula C41H38N4OPt and a molecular weight of 797.86 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441305
• Molecular Formula: C41H38N4OPt
• Molecular Weight: 797.86 g/mol
• Exact Mass: 797.27
• IUPAC Name: 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2]
• InChI: InChI=1S/C41H38N4O.Pt/c1-8-29-21-32(45-28(4)40(27(3)43-45)30-12-10-9-11-13-30)24-34(22-29)46-33-15-16-35-36-23-31(41(5,6)7)14-17-37(36)44(38(35)25-33)39-20-26(2)18-19-42-39;/h9-23H,8H2,1-7H3;/q-2;+2
• InChIKey: RNFDGYLNRHHCLP-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.86
LogP ≤ 5	10.21
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 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441305) is 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCc1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2].

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

The InChIKey is RNFDGYLNRHHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.Pt/c1-8-29-21-32(45-28(4)40(27(3)43-45)30-12-10-9-11-13-30)24-34(22-29)46-33-15-16-35-36-23-31(41(5,6)7)14-17-37(36)44(38(35)25-33)39-20-26(2)18-19-42-39;/h9-23H,8H2,1-7H3;/q-2;+2.

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

6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 797.86 g/mol, XLogP of 10.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).