2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C36H28N4OPtS2 — CID 153413946

About 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413946) has the molecular formula C36H28N4OPtS2 and a molecular weight of 791.86 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413946
• Molecular Formula: C36H28N4OPtS2
• Molecular Weight: 791.86 g/mol
• Exact Mass: 791.14
• IUPAC Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CSc1cccc(SC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C)c2)c1.[Pt+2]
• InChI: InChI=1S/C36H28N4OS2.Pt/c1-23-14-15-37-35(18-23)40-31-9-6-5-8-29(31)30-13-12-27(20-32(30)40)41-28-17-24(2)16-26(19-28)39-22-25(21-38-39)36-33(42-3)10-7-11-34(36)43-4;/h5-18,21-22H,1-4H3;/q-2;+2
• InChIKey: CGWRSLXLPLCMNY-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.86
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413946) is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CSc1cccc(SC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C)c2)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CGWRSLXLPLCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4OS2.Pt/c1-23-14-15-37-35(18-23)40-31-9-6-5-8-29(31)30-13-12-27(20-32(30)40)41-28-17-24(2)16-26(19-28)39-22-25(21-38-39)36-33(42-3)10-7-11-34(36)43-4;/h5-18,21-22H,1-4H3;/q-2;+2.

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

2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 791.86 g/mol, XLogP of 9.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).