1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum

C132H80N8O4Pt2-4 — CID 159504593

About 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum

1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum (PubChem CID 159504593) has the molecular formula C132H80N8O4Pt2-4 and a molecular weight of 2232.30 g/mol. Its IUPAC name is 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum.

Molecular Properties

• Compound Name: 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum
• PubChem CID: 159504593
• Molecular Formula: C132H80N8O4Pt2-4
• Molecular Weight: 2232.30 g/mol
• Exact Mass: 2230.56
• IUPAC Name: 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum
• SMILES: [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3ccccn3)c3oc4ccccc4c3c2)cccc1-n1[c-][n+](-c2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21.[c-]1c(Oc2[c-]c(-c3ccccn3)c3oc4ccccc4c3c2)cccc1-n1[c-][n+](-c2c(-n3c4ccccc4c4ccccc43)cccc2-n2c3ccccc3c3ccccc32)c2ccccc21
• InChI: InChI=1S/C72H45N3O2.C60H35N5O2.2Pt/c1-5-21-49(22-6-1)53-39-54(50-23-7-2-8-24-50)42-57(41-53)62-32-20-33-63(58-43-55(51-25-9-3-10-26-51)40-56(44-58)52-27-11-4-12-28-52)71(62)75-48-74(68-35-14-15-36-69(68)75)59-29-19-30-60(45-59)76-61-46-65-64-31-13-16-37-70(64)77-72(65)66(47-61)67-34-17-18-38-73-67;1-6-25-50-42(19-1)43-20-2-7-26-51(43)64(50)56-31-16-32-57(65-52-27-8-3-21-44(52)45-22-4-9-28-53(45)65)59(56)63-38-62(54-29-10-11-30-55(54)63)39-17-15-18-40(35-39)66-41-36-47-46-23-5-12-33-58(46)67-60(47)48(37-41)49-24-13-14-34-61-49;;/h1-44,46H;1-34,36H;;/q2*-2
• InChIKey: XQEHXSKXRSIQBU-UHFFFAOYSA-N
• XLogP: 32.31
• TPSA: 98.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2232.30
LogP ≤ 5	32.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum?

The IUPAC name of 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum (CID 159504593) is 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum.

What is the SMILES notation for 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum?

The canonical SMILES for 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum is [Pt].[Pt].[c-]1c(Oc2[c-]c(-c3ccccn3)c3oc4ccccc4c3c2)cccc1-n1[c-][n+](-c2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21.[c-]1c(Oc2[c-]c(-c3ccccn3)c3oc4ccccc4c3c2)cccc1-n1[c-][n+](-c2c(-n3c4ccccc4c4ccccc43)cccc2-n2c3ccccc3c3ccccc32)c2ccccc21.

What is the InChIKey of 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum?

The InChIKey is XQEHXSKXRSIQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N3O2.C60H35N5O2.2Pt/c1-5-21-49(22-6-1)53-39-54(50-23-7-2-8-24-50)42-57(41-53)62-32-20-33-63(58-43-55(51-25-9-3-10-26-51)40-56(44-58)52-27-11-4-12-28-52)71(62)75-48-74(68-35-14-15-36-69(68)75)59-29-19-30-60(45-59)76-61-46-65-64-31-13-16-37-70(64)77-72(65)66(47-61)67-34-17-18-38-73-67;1-6-25-50-42(19-1)43-20-2-7-26-51(43)64(50)56-31-16-32-57(65-52-27-8-3-21-44(52)45-22-4-9-28-53(45)65)59(56)63-38-62(54-29-10-11-30-55(54)63)39-17-15-18-40(35-39)66-41-36-47-46-23-5-12-33-58(46)67-60(47)48(37-41)49-24-13-14-34-61-49;;/h1-44,46H;1-34,36H;;/q2*-2;;.

What are the key properties of 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum?

1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum has a molecular weight of 2232.30 g/mol, XLogP of 32.31, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(3,5-diphenylphenyl)phenyl]-3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;9-[3-carbazol-9-yl-2-[3-[3-[(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;platinum is sourced from PubChem (CID 159504593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).