1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum

C64H43N5OPtS-2 — CID 154594763

About 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum

1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum (PubChem CID 154594763) has the molecular formula C64H43N5OPtS-2 and a molecular weight of 1125.23 g/mol. Its IUPAC name is 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum.

Molecular Properties

• Compound Name: 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum
• PubChem CID: 154594763
• Molecular Formula: C64H43N5OPtS-2
• Molecular Weight: 1125.23 g/mol
• Exact Mass: 1124.28
• IUPAC Name: 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum
• SMILES: CC(C)Cc1cccc2c1sc1c(-c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3)nccc12.[Pt]
• InChI: InChI=1S/C64H43N5OS.Pt/c1-41(2)37-43-18-14-26-51-52-35-36-65-61(64(52)71-63(43)51)42-17-13-20-45(38-42)70-46-21-15-19-44(39-46)66-40-67(58-32-12-11-31-57(58)66)62-59(68-53-27-7-3-22-47(53)48-23-4-8-28-54(48)68)33-16-34-60(62)69-55-29-9-5-24-49(55)50-25-6-10-30-56(50)69;/h3-36,41H,37H2,1-2H3;/q-2
• InChIKey: JLWBPUUIJLRHIB-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 40.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.23
LogP ≤ 5	15.92
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum?

The IUPAC name of 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum (CID 154594763) is 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum.

What is the SMILES notation for 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum?

The canonical SMILES for 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum is CC(C)Cc1cccc2c1sc1c(-c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3)nccc12.[Pt].

What is the InChIKey of 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum?

The InChIKey is JLWBPUUIJLRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5OS.Pt/c1-41(2)37-43-18-14-26-51-52-35-36-65-61(64(52)71-63(43)51)42-17-13-20-45(38-42)70-46-21-15-19-44(39-46)66-40-67(58-32-12-11-31-57(58)66)62-59(68-53-27-7-3-22-47(53)48-23-4-8-28-54(48)68)33-16-34-60(62)69-55-29-9-5-24-49(55)50-25-6-10-30-56(50)69;/h3-36,41H,37H2,1-2H3;/q-2;.

What are the key properties of 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum?

1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum has a molecular weight of 1125.23 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum is sourced from PubChem (CID 154594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).