7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum

C59H39N5OPtS-2 — CID 154594926

About 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum

7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum (PubChem CID 154594926) has the molecular formula C59H39N5OPtS-2 and a molecular weight of 1061.14 g/mol. Its IUPAC name is 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum.

Molecular Properties

• Compound Name: 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum
• PubChem CID: 154594926
• Molecular Formula: C59H39N5OPtS-2
• Molecular Weight: 1061.14 g/mol
• Exact Mass: 1060.25
• IUPAC Name: 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum
• SMILES: CC(C)c1csc2c(-c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3)nccc12.[Pt]
• InChI: InChI=1S/C59H39N5OS.Pt/c1-38(2)48-36-66-59-47(48)32-33-60-57(59)39-16-13-18-41(34-39)65-42-19-14-17-40(35-42)61-37-62(54-29-12-11-28-53(54)61)58-55(63-49-24-7-3-20-43(49)44-21-4-8-25-50(44)63)30-15-31-56(58)64-51-26-9-5-22-45(51)46-23-6-10-27-52(46)64;/h3-33,36,38H,1-2H3;/q-2
• InChIKey: IOSHNELBGWPJOL-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 40.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.14
LogP ≤ 5	14.69
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 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum?

The IUPAC name of 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum (CID 154594926) is 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum.

What is the SMILES notation for 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum?

The canonical SMILES for 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum is CC(C)c1csc2c(-c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-n7c8ccccc8c8ccccc87)cccc6-n6c7ccccc7c7ccccc76)c6ccccc65)ccc4)ccc3)nccc12.[Pt].

What is the InChIKey of 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum?

The InChIKey is IOSHNELBGWPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5OS.Pt/c1-38(2)48-36-66-59-47(48)32-33-60-57(59)39-16-13-18-41(34-39)65-42-19-14-17-40(35-42)61-37-62(54-29-12-11-28-53(54)61)58-55(63-49-24-7-3-20-43(49)44-21-4-8-25-50(44)63)30-15-31-56(58)64-51-26-9-5-22-45(51)46-23-6-10-27-52(46)64;/h3-33,36,38H,1-2H3;/q-2;.

What are the key properties of 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum?

7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum has a molecular weight of 1061.14 g/mol, XLogP of 14.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[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]-3-propan-2-ylthieno[2,3-c]pyridine;platinum is sourced from PubChem (CID 154594926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).