10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

C44H26N4OPtS — CID 176783442

About 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (PubChem CID 176783442) has the molecular formula C44H26N4OPtS and a molecular weight of 853.86 g/mol. Its IUPAC name is 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).

Molecular Properties

• Compound Name: 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
• PubChem CID: 176783442
• Molecular Formula: C44H26N4OPtS
• Molecular Weight: 853.86 g/mol
• Exact Mass: 853.15
• IUPAC Name: 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)cccc1-n1cc(-c2ccccc2)c(-c2ccccc2)n1
• InChI: InChI=1S/C44H26N4OS.Pt/c1-3-12-29(13-4-1)37-28-47(46-43(37)30-14-5-2-6-15-30)31-16-11-17-32(26-31)49-33-21-22-34-35-23-24-40-42(36-18-7-8-19-39(36)50-40)44(35)48(38(34)27-33)41-20-9-10-25-45-41;/h1-25,28H;/q-2;+2
• InChIKey: HKAHEVQQXXTSCG-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.86
LogP ≤ 5	11.46
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 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The IUPAC name of 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (CID 176783442) is 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).

What is the SMILES notation for 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The canonical SMILES for 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)cccc1-n1cc(-c2ccccc2)c(-c2ccccc2)n1.

What is the InChIKey of 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

The InChIKey is HKAHEVQQXXTSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4OS.Pt/c1-3-12-29(13-4-1)37-28-47(46-43(37)30-14-5-2-6-15-30)31-16-11-17-32(26-31)49-33-21-22-34-35-23-24-40-42(36-18-7-8-19-39(36)50-40)44(35)48(38(34)27-33)41-20-9-10-25-45-41;/h1-25,28H;/q-2;+2.

What are the key properties of 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?

10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) has a molecular weight of 853.86 g/mol, XLogP of 11.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(3,4-diphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is sourced from PubChem (CID 176783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).