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

C40H36N4OPtS — CID 153413698

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

2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413698) has the molecular formula C40H36N4OPtS and a molecular weight of 815.90 g/mol. Its IUPAC name is 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413698
• Molecular Formula: C40H36N4OPtS
• Molecular Weight: 815.90 g/mol
• Exact Mass: 815.23
• IUPAC Name: 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1cc(C)cc(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(SC)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C40H36N4OS.Pt/c1-5-10-28-20-27(3)21-29(11-6-2)40(28)30-25-42-43(26-30)31-12-9-13-32(22-31)45-33-16-17-36-35-14-7-8-15-37(35)44(38(36)23-33)39-24-34(46-4)18-19-41-39;/h7-9,12-21,24-26H,5-6,10-11H2,1-4H3;/q-2;+2
• InChIKey: PWEDGQCUPJRVOB-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.90
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413698) is 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1cc(C)cc(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(SC)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is PWEDGQCUPJRVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4OS.Pt/c1-5-10-28-20-27(3)21-29(11-6-2)40(28)30-25-42-43(26-30)31-12-9-13-32(22-31)45-33-16-17-36-35-14-7-8-15-37(35)44(38(36)23-33)39-24-34(46-4)18-19-41-39;/h7-9,12-21,24-26H,5-6,10-11H2,1-4H3;/q-2;+2.

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

2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 815.90 g/mol, XLogP of 10.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-methyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).