2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum

C61H38N6OPt-2 — CID 154594767

IUPAC2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c5ccccc5n(-c5ccccc5)c34)c21.[Pt]
InChIInChI=1S/C61H38N6O.Pt/c1-63-39-64(41-19-15-20-42(37-41)68-43-32-33-48-46-23-7-12-29-54(46)67(57(48)38-43)58-31-13-14-36-62-58)56-30-16-25-50(60(56)63)59-55(66-52-27-10-5-21-44(52)45-22-6-11-28-53(45)66)35-34-49-47-24-8-9-26-51(47)65(61(49)59)40-17-3-2-4-18-40;/h2-36H,1H3;/q-2;/i1D3;
InChIKeyZYGXMHWMGMVHOY-NIIDSAIPSA-N
MW1069.11 g/mol
LogP14.00
Rot. Bonds8

About 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum

2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum (PubChem CID 154594767) has the molecular formula C61H38N6OPt-2 and a molecular weight of 1069.11 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum.

Molecular Properties

Compound Name2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum
PubChem CID154594767
Molecular FormulaC61H38N6OPt-2
Molecular Weight1069.11 g/mol
Exact Mass1068.30
IUPAC Name2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c5ccccc5n(-c5ccccc5)c34)c21.[Pt]
InChIInChI=1S/C61H38N6O.Pt/c1-63-39-64(41-19-15-20-42(37-41)68-43-32-33-48-46-23-7-12-29-54(46)67(57(48)38-43)58-31-13-14-36-62-58)56-30-16-25-50(60(56)63)59-55(66-52-27-10-5-21-44(52)45-22-6-11-28-53(45)66)35-34-49-47-24-8-9-26-51(47)65(61(49)59)40-17-3-2-4-18-40;/h2-36H,1H3;/q-2;/i1D3;
InChIKeyZYGXMHWMGMVHOY-NIIDSAIPSA-N
XLogP14.00
TPSA45.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.11
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum?
The IUPAC name of 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum (CID 154594767) is 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum.
What is the SMILES notation for 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum?
The canonical SMILES for 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c5ccccc5n(-c5ccccc5)c34)c21.[Pt].
What is the InChIKey of 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum?
The InChIKey is ZYGXMHWMGMVHOY-NIIDSAIPSA-N. The full InChI is InChI=1S/C61H38N6O.Pt/c1-63-39-64(41-19-15-20-42(37-41)68-43-32-33-48-46-23-7-12-29-54(46)67(57(48)38-43)58-31-13-14-36-62-58)56-30-16-25-50(60(56)63)59-55(66-52-27-10-5-21-44(52)45-22-6-11-28-53(45)66)35-34-49-47-24-8-9-26-51(47)65(61(49)59)40-17-3-2-4-18-40;/h2-36H,1H3;/q-2;/i1D3;.
What are the key properties of 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum?
2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum has a molecular weight of 1069.11 g/mol, XLogP of 14.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum is sourced from PubChem (CID 154594767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).