7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum

C52H45N4OPtS-3 — CID 176783225

About 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum

7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum (PubChem CID 176783225) has the molecular formula C52H45N4OPtS-3 and a molecular weight of 969.10 g/mol. Its IUPAC name is 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum.

Molecular Properties

• Compound Name: 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum
• PubChem CID: 176783225
• Molecular Formula: C52H45N4OPtS-3
• Molecular Weight: 969.10 g/mol
• Exact Mass: 968.30
• IUPAC Name: 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(c5ccccc5n4-c4cc(C(C)(C)C)ccn4)c4sc5ccccc5c34)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C52H45N4OS.Pt/c1-32-26-35(52(6,7)8)27-33(2)49(32)55-31-54(41-21-12-13-22-42(41)55)36-16-15-17-37(29-36)57-44-30-43-47(50-48(44)39-19-10-14-23-45(39)58-50)38-18-9-11-20-40(38)56(43)46-28-34(24-25-53-46)51(3,4)5;/h9-28,31H,1-8H3;/q-3
• InChIKey: PZKOGUVHIVJYMS-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.10
LogP ≤ 5	14.56
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 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The IUPAC name of 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum (CID 176783225) is 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum.

What is the SMILES notation for 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The canonical SMILES for 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum is Cc1cc(C(C)(C)C)cc(C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(c5ccccc5n4-c4cc(C(C)(C)C)ccn4)c4sc5ccccc5c34)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

The InChIKey is PZKOGUVHIVJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N4OS.Pt/c1-32-26-35(52(6,7)8)27-33(2)49(32)55-31-54(41-21-12-13-22-42(41)55)36-16-15-17-37(29-36)57-44-30-43-47(50-48(44)39-19-10-14-23-45(39)58-50)38-18-9-11-20-40(38)56(43)46-28-34(24-25-53-46)51(3,4)5;/h9-28,31H,1-8H3;/q-3;.

What are the key properties of 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum?

7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum has a molecular weight of 969.10 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-6H-[1]benzothiolo[3,2-c]carbazol-6-ide;platinum is sourced from PubChem (CID 176783225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).