2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C37H30N4O2PtS — CID 153412809

About 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412809) has the molecular formula C37H30N4O2PtS and a molecular weight of 789.82 g/mol. Its IUPAC name is 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412809
• Molecular Formula: C37H30N4O2PtS
• Molecular Weight: 789.82 g/mol
• Exact Mass: 789.17
• IUPAC Name: 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCSc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(OC)ccn4)ccc3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C37H30N4O2S.Pt/c1-5-44-31-17-24(2)37(25(3)18-31)26-22-39-40(23-26)27-9-8-10-29(19-27)43-30-13-14-33-32-11-6-7-12-34(32)41(35(33)20-30)36-21-28(42-4)15-16-38-36;/h6-18,21-23H,5H2,1-4H3;/q-2;+2
• InChIKey: GASSKLXIZUNSJR-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 54.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.82
LogP ≤ 5	9.16
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-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412809) is 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCSc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(OC)ccn4)ccc3)c2)c(C)c1.[Pt+2].

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

The InChIKey is GASSKLXIZUNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4O2S.Pt/c1-5-44-31-17-24(2)37(25(3)18-31)26-22-39-40(23-26)27-9-8-10-29(19-27)43-30-13-14-33-32-11-6-7-12-34(32)41(35(33)20-30)36-21-28(42-4)15-16-38-36;/h6-18,21-23H,5H2,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 789.82 g/mol, XLogP of 9.16, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).