2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C43H42N4OPtS — CID 153413924

About 2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413924) has the molecular formula C43H42N4OPtS and a molecular weight of 857.98 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)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-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413924
• Molecular Formula: C43H42N4OPtS
• Molecular Weight: 857.98 g/mol
• Exact Mass: 857.27
• IUPAC Name: 2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1c(C)cc(C)c(CCCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(SC)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C43H42N4OS.Pt/c1-6-8-15-36-29(3)23-30(4)37(16-9-7-2)43(36)31-27-45-46(28-31)32-13-12-14-33(24-32)48-34-19-20-39-38-17-10-11-18-40(38)47(41(39)25-34)42-26-35(49-5)21-22-44-42;/h10-14,17-23,26-28H,6-9,15-16H2,1-5H3;/q-2;+2
• InChIKey: NAOSSIDEEZMNJY-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.98
LogP ≤ 5	11.45
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-(2,6-dibutyl-3,5-dimethylphenyl)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-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413924) is 2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)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-(2,6-dibutyl-3,5-dimethylphenyl)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-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCc1c(C)cc(C)c(CCCC)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-(2,6-dibutyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NAOSSIDEEZMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4OS.Pt/c1-6-8-15-36-29(3)23-30(4)37(16-9-7-2)43(36)31-27-45-46(28-31)32-13-12-14-33(24-32)48-34-19-20-39-38-17-10-11-18-40(38)47(41(39)25-34)42-26-35(49-5)21-22-44-42;/h10-14,17-23,26-28H,6-9,15-16H2,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)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 857.98 g/mol, XLogP of 11.45, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dibutyl-3,5-dimethylphenyl)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 153413924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).