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

C35H26N4OPtS2 — CID 153412957

About 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-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]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412957) has the molecular formula C35H26N4OPtS2 and a molecular weight of 777.83 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-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]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412957
• Molecular Formula: C35H26N4OPtS2
• Molecular Weight: 777.83 g/mol
• Exact Mass: 777.12
• IUPAC Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-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)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C35H26N4OS2.Pt/c1-23-16-17-36-34(18-23)39-30-11-5-4-10-28(30)29-15-14-27(20-31(29)39)40-26-9-6-8-25(19-26)38-22-24(21-37-38)35-32(41-2)12-7-13-33(35)42-3;/h4-18,21-22H,1-3H3;/q-2;+2
• InChIKey: QDSXPMZCVPDEEV-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.83
LogP ≤ 5	9.17
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]benzene-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]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412957) is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-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]benzene-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]benzene-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)ccc2)c1.[Pt+2].

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

The InChIKey is QDSXPMZCVPDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4OS2.Pt/c1-23-16-17-36-34(18-23)39-30-11-5-4-10-28(30)29-15-14-27(20-31(29)39)40-26-9-6-8-25(19-26)38-22-24(21-37-38)35-32(41-2)12-7-13-33(35)42-3;/h4-18,21-22H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-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]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 777.83 g/mol, XLogP of 9.17, 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]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).