2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum

C52H43N4OPtS-3 — CID 176782644

About 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum

2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum (PubChem CID 176782644) has the molecular formula C52H43N4OPtS-3 and a molecular weight of 967.09 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum
• PubChem CID: 176782644
• Molecular Formula: C52H43N4OPtS-3
• Molecular Weight: 967.09 g/mol
• Exact Mass: 966.28
• IUPAC Name: 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)C(c6ccccc6)=C5c5ccccc5)ccc4)ccc3c3ccc4c5ccccc5sc4c32)c1.[Pt]
• InChI: InChI=1S/C52H43N4OS.Pt/c1-51(2,3)36-28-29-53-46(30-36)56-44-32-39(24-25-40(44)42-26-27-43-41-22-13-14-23-45(41)58-50(43)49(42)56)57-38-21-15-20-37(31-38)54-33-55(52(4,5)6)48(35-18-11-8-12-19-35)47(54)34-16-9-7-10-17-34;/h7-30,33H,1-6H3;/q-3
• InChIKey: ZHNSOJADXNAFRE-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.09
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum (CID 176782644) is 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)C(c6ccccc6)=C5c5ccccc5)ccc4)ccc3c3ccc4c5ccccc5sc4c32)c1.[Pt].

What is the InChIKey of 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum?

The InChIKey is ZHNSOJADXNAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N4OS.Pt/c1-51(2,3)36-28-29-53-46(30-36)56-44-32-39(24-25-40(44)42-26-27-43-41-22-13-14-23-45(41)58-50(43)49(42)56)57-38-21-15-20-37(31-38)54-33-55(52(4,5)6)48(35-18-11-8-12-19-35)47(54)34-16-9-7-10-17-34;/h7-30,33H,1-6H3;/q-3;.

What are the key properties of 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum?

2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum has a molecular weight of 967.09 g/mol, XLogP of 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-tert-butyl-4,5-diphenyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[2,3-a]carbazol-1-ide;platinum is sourced from PubChem (CID 176782644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).