2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide

C111H80N8Pt2-2 — CID 157094767

About 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide

2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide (PubChem CID 157094767) has the molecular formula C111H80N8Pt2-2 and a molecular weight of 1919.09 g/mol. Its IUPAC name is 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide
• PubChem CID: 157094767
• Molecular Formula: C111H80N8Pt2-2
• Molecular Weight: 1919.09 g/mol
• Exact Mass: 1917.60
• IUPAC Name: 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide
• SMILES: CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(-c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5C(C)C)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt].[Pt]
• InChI: InChI=1S/C58H41N4.C53H39N4.2Pt/c1-39(2)45-21-6-7-22-46(45)40-33-34-59-57(35-40)62-53-28-13-10-25-49(53)50-32-31-42(37-56(50)62)58(51-26-11-8-23-47(51)48-24-9-12-27-52(48)58)41-17-16-20-44(36-41)61-38-60(43-18-4-3-5-19-43)54-29-14-15-30-55(54)61;1-35(2)40-17-4-5-18-41(40)36-29-30-54-52(31-36)57-48-24-11-8-21-44(48)45-28-27-38(33-51(45)57)53(46-22-9-6-19-42(46)43-20-7-10-23-47(43)53)37-15-14-16-39(32-37)56-34-55(3)49-25-12-13-26-50(49)56;;/h3-35,38-39H,1-2H3;4-31,34-35H,1-3H3;;/q2*-1;;/i;3D3
• InChIKey: KQRURIXKRHMTHF-IRRNOYRMSA-N
• XLogP: 26.44
• TPSA: 55.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1919.09
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide?

The IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide (CID 157094767) is 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide.

What is the SMILES notation for 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide?

The canonical SMILES for 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide is CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(-c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5C(C)C)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt].[Pt].

What is the InChIKey of 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide?

The InChIKey is KQRURIXKRHMTHF-IRRNOYRMSA-N. The full InChI is InChI=1S/C58H41N4.C53H39N4.2Pt/c1-39(2)45-21-6-7-22-46(45)40-33-34-59-57(35-40)62-53-28-13-10-25-49(53)50-32-31-42(37-56(50)62)58(51-26-11-8-23-47(51)48-24-9-12-27-52(48)58)41-17-16-20-44(36-41)61-38-60(43-18-4-3-5-19-43)54-29-14-15-30-55(54)61;1-35(2)40-17-4-5-18-41(40)36-29-30-54-52(31-36)57-48-24-11-8-21-44(48)45-28-27-38(33-51(45)57)53(46-22-9-6-19-42(46)43-20-7-10-23-47(43)53)37-15-14-16-39(32-37)56-34-55(3)49-25-12-13-26-50(49)56;;/h3-35,38-39H,1-2H3;4-31,34-35H,1-3H3;;/q2*-1;;/i;3D3;;.

What are the key properties of 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide?

2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide has a molecular weight of 1919.09 g/mol, XLogP of 26.44, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 157094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).