4-[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]thieno[3,2-c]pyridine;platinum

C56H33N5OPtS-2 — CID 154594918

About 4-[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]thieno[3,2-c]pyridine;platinum

4-[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]thieno[3,2-c]pyridine;platinum (PubChem CID 154594918) has the molecular formula C56H33N5OPtS-2 and a molecular weight of 1019.06 g/mol. Its IUPAC name is 4-[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]thieno[3,2-c]pyridine;platinum.

Molecular Properties

• Compound Name: 4-[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]thieno[3,2-c]pyridine;platinum
• PubChem CID: 154594918
• Molecular Formula: C56H33N5OPtS-2
• Molecular Weight: 1019.06 g/mol
• Exact Mass: 1018.21
• IUPAC Name: 4-[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]thieno[3,2-c]pyridine;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-n5c6ccccc6c6ccccc65)cccc4-n4c5ccccc5c5ccccc54)c4ccccc43)ccc2)cccc1-c1nccc2sccc12
• InChI: InChI=1S/C56H33N5OS.Pt/c1-5-22-46-41(18-1)42-19-2-6-23-47(42)60(46)52-28-13-29-53(61-48-24-7-3-20-43(48)44-21-4-8-25-49(44)61)56(52)59-36-58(50-26-9-10-27-51(50)59)38-15-12-17-40(35-38)62-39-16-11-14-37(34-39)55-45-31-33-63-54(45)30-32-57-55;/h1-33H;/q-2
• InChIKey: NKBOSRNQJOMBAF-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 40.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.06
LogP ≤ 5	13.57
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 4-[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]thieno[3,2-c]pyridine;platinum?

The IUPAC name of 4-[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]thieno[3,2-c]pyridine;platinum (CID 154594918) is 4-[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]thieno[3,2-c]pyridine;platinum.

What is the SMILES notation for 4-[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]thieno[3,2-c]pyridine;platinum?

The canonical SMILES for 4-[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]thieno[3,2-c]pyridine;platinum is [Pt].[c-]1c(Oc2[c-]c(-n3[c-][n+](-c4c(-n5c6ccccc6c6ccccc65)cccc4-n4c5ccccc5c5ccccc54)c4ccccc43)ccc2)cccc1-c1nccc2sccc12.

What is the InChIKey of 4-[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]thieno[3,2-c]pyridine;platinum?

The InChIKey is NKBOSRNQJOMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5OS.Pt/c1-5-22-46-41(18-1)42-19-2-6-23-47(42)60(46)52-28-13-29-53(61-48-24-7-3-20-43(48)44-21-4-8-25-49(44)61)56(52)59-36-58(50-26-9-10-27-51(50)59)38-15-12-17-40(35-38)62-39-16-11-14-37(34-39)55-45-31-33-63-54(45)30-32-57-55;/h1-33H;/q-2;.

What are the key properties of 4-[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]thieno[3,2-c]pyridine;platinum?

4-[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]thieno[3,2-c]pyridine;platinum has a molecular weight of 1019.06 g/mol, XLogP of 13.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[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]thieno[3,2-c]pyridine;platinum is sourced from PubChem (CID 154594918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).