10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

C47H32N4OPtS — CID 176783928

About 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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 176783928) has the molecular formula C47H32N4OPtS and a molecular weight of 895.95 g/mol. Its IUPAC name is 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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: 176783928
• Molecular Formula: C47H32N4OPtS
• Molecular Weight: 895.95 g/mol
• Exact Mass: 895.19
• IUPAC Name: 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3)cc2-c2ccccc2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C47H32N4OS.Pt/c1-29-24-30(2)44(31(3)25-29)46-39(32-12-5-4-6-13-32)28-50(49-46)33-14-11-15-34(26-33)52-35-19-20-36-37-21-22-42-45(38-16-7-8-17-41(38)53-42)47(37)51(40(36)27-35)43-18-9-10-23-48-43;/h4-25,28H,1-3H3;/q-2;+2
• InChIKey: PTNYRNKNSCMZTP-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 44.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.95
LogP ≤ 5	12.38
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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (CID 176783928) is 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is Cc1cc(C)c(-c2nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3)cc2-c2ccccc2)c(C)c1.[Pt+2].

What is the InChIKey of 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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 PTNYRNKNSCMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4OS.Pt/c1-29-24-30(2)44(31(3)25-29)46-39(32-12-5-4-6-13-32)28-50(49-46)33-14-11-15-34(26-33)52-35-19-20-36-37-21-22-42-45(38-16-7-8-17-41(38)53-42)47(37)51(40(36)27-35)43-18-9-10-23-48-43;/h4-25,28H,1-3H3;/q-2;+2.

What are the key properties of 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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 895.95 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[4-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-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 176783928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).