6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum

C132H82N10O4Pt2-4 — CID 158346231

About 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum

6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum (PubChem CID 158346231) has the molecular formula C132H82N10O4Pt2-4 and a molecular weight of 2262.33 g/mol. Its IUPAC name is 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum.

Molecular Properties

• Compound Name: 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum
• PubChem CID: 158346231
• Molecular Formula: C132H82N10O4Pt2-4
• Molecular Weight: 2262.33 g/mol
• Exact Mass: 2260.58
• IUPAC Name: 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(Oc3[c-]c(-n4[c-][n+](-c5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cccc5-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc54)ccc3)cc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(Oc3[c-]c(-n4[c-][n+](-c5c(-n6c7ccccc7c7ccccc76)cccc5-n5c6ccccc6c6ccccc65)c5ccccc54)ccc3)cc12.[Pt].[Pt]
• InChI: InChI=1S/C72H46N4O2.C60H36N6O2.2Pt/c1-48-35-36-64-65-45-61(46-66(67-32-16-17-37-73-67)71(65)78-72(64)74-48)77-60-29-18-28-59(44-60)75-47-76(69-34-15-14-33-68(69)75)70-62(57-40-53(49-20-6-2-7-21-49)38-54(41-57)50-22-8-3-9-23-50)30-19-31-63(70)58-42-55(51-24-10-4-11-25-51)39-56(43-58)52-26-12-5-13-27-52;1-38-31-32-46-47-35-41(36-48(49-22-12-13-33-61-49)59(47)68-60(46)62-38)67-40-17-14-16-39(34-40)63-37-64(55-28-11-10-27-54(55)63)58-56(65-50-23-6-2-18-42(50)43-19-3-7-24-51(43)65)29-15-30-57(58)66-52-25-8-4-20-44(52)45-21-5-9-26-53(45)66;;/h2-43,45H,1H3;2-33,35H,1H3;;/q2*-2
• InChIKey: XIILYOMTKLKLLL-UHFFFAOYSA-N
• XLogP: 31.72
• TPSA: 123.78 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.33
LogP ≤ 5	31.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum?

The IUPAC name of 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum (CID 158346231) is 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum.

What is the SMILES notation for 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum?

The canonical SMILES for 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum is Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(Oc3[c-]c(-n4[c-][n+](-c5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cccc5-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc54)ccc3)cc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(Oc3[c-]c(-n4[c-][n+](-c5c(-n6c7ccccc7c7ccccc76)cccc5-n5c6ccccc6c6ccccc65)c5ccccc54)ccc3)cc12.[Pt].[Pt].

What is the InChIKey of 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum?

The InChIKey is XIILYOMTKLKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4O2.C60H36N6O2.2Pt/c1-48-35-36-64-65-45-61(46-66(67-32-16-17-37-73-67)71(65)78-72(64)74-48)77-60-29-18-28-59(44-60)75-47-76(69-34-15-14-33-68(69)75)70-62(57-40-53(49-20-6-2-7-21-49)38-54(41-57)50-22-8-3-9-23-50)30-19-31-63(70)58-42-55(51-24-10-4-11-25-51)39-56(43-58)52-26-12-5-13-27-52;1-38-31-32-46-47-35-41(36-48(49-22-12-13-33-61-49)59(47)68-60(46)62-38)67-40-17-14-16-39(34-40)63-37-64(55-28-11-10-27-54(55)63)58-56(65-50-23-6-2-18-42(50)43-19-3-7-24-51(43)65)29-15-30-57(58)66-52-25-8-4-20-44(52)45-21-5-9-26-53(45)66;;/h2-43,45H,1H3;2-33,35H,1H3;;/q2*-2;;.

What are the key properties of 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum?

6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum has a molecular weight of 2262.33 g/mol, XLogP of 31.72, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;platinum is sourced from PubChem (CID 158346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).