bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)

C193H129Cu3F18Ir6N32O2-12 — CID 160965829

IUPACbis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
SMILESCc1ccc(O)c(-n2nc3ccccc3n2)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C15H10N.2C13H11N3O.4C12H8N3.4C11H8N.3C5HF6N2.3Cu.6Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;/h4*1-7,9-11H;2*2-8,17H,1H3;4*1-8H;4*1-6,8-9H;3*1H;;;;;;;;;/q4*-1;;;11*-1;3*+1;;;;;;
InChIKeyZGWCELYKBGZQHJ-UHFFFAOYSA-N
MW4614.28 g/mol
LogP45.09
Rot. Bonds14

About bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)

bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) (PubChem CID 160965829) has the molecular formula C193H129Cu3F18Ir6N32O2-12 and a molecular weight of 4614.28 g/mol. Its IUPAC name is bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide).

Molecular Properties

Compound Namebis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
PubChem CID160965829
Molecular FormulaC193H129Cu3F18Ir6N32O2-12
Molecular Weight4614.28 g/mol
Exact Mass4614.64
IUPAC Namebis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
SMILESCc1ccc(O)c(-n2nc3ccccc3n2)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C15H10N.2C13H11N3O.4C12H8N3.4C11H8N.3C5HF6N2.3Cu.6Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;/h4*1-7,9-11H;2*2-8,17H,1H3;4*1-8H;4*1-6,8-9H;3*1H;;;;;;;;;/q4*-1;;;11*-1;3*+1;;;;;;
InChIKeyZGWCELYKBGZQHJ-UHFFFAOYSA-N
XLogP45.09
TPSA445.49 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004614.28
LogP ≤ 545.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) with MolForge

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Related Compounds

Bis(2-(benzotriazol-2-yl)-4-methylphenol);3,5-bis(trifluoromethyl)pyrazol-1-ide;copper(1+);bis(iridium);tetrakis(1-phenylisoquinoline)
CID 59010548
Bis(2-(benzotriazol-2-yl)-4-methylphenol);copper(1+);bis(iridium);3-methyl-5-(trifluoromethyl)pyrazol-1-ide;tetrakis(1-phenylisoquinoline)
CID 59010558
1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);1,5-naphthyridin-4-ol;hexakis(1-phenylpyrazole);2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol
CID 157058292
(3-Tert-butyl-5-diphenylphosphorylbenzene-6-id-1-yl)-diphenylmethanol;2-(3-tert-butyl-5-pyrazol-2-id-3-ylbenzene-6-id-1-yl)pyridine;4-(3-tert-butyl-5-pyrazol-1-ylbenzene-6-id-1-yl)-5-(trifluoromethyl)imidazol-3-ide;2-(9-methanidylfluoren-9-yl)-6-phenylpyridine;2-(5-methylimidazol-3-id-4-yl)-6-phenylpyridine;2-phenyl-6-pyrrol-1-id-2-ylpyridine;2-phenylquinolin-8-ol;platinum;hexakis(platinum(2+));pyridine;1-(3-pyrrol-1-id-2-ylbenzene-2-id-1-yl)pyrazole;heptakis(triphenylphosphanium)
CID 157419959
1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;heptakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;1,5-naphthyridin-4-ol;heptakis(1-phenylpyrazole);2-pyrazol-2-ium-1-id-2-ylpyridine;2-pyridin-2-ylbenzimidazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide;quinolin-8-ol
CID 157577449
Tris(2-(benzotriazol-2-yl)-4-methylphenol);tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tris(iridium);hexakis(1-phenylisoquinoline)
CID 158504637
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-propan-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160377978
2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 161185293
2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;bis(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
CID 162287329
2-(3-tert-butylpyrazol-1-id-5-yl)-4-methylpyridine;2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol;tris(2-imidazol-3-id-2-ylpyridine);iridium;hexakis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;pentakis(1-methyl-3-phenyl-2H-imidazol-2-ide);2-pyridin-2-ylbenzimidazol-1-ide
CID 162287330
2,6-di(phenyl)pyridine;bis(1-(3-phenylbenzene-2-id-1-yl)pyrazole);bis(1-phenyl-3-pyridin-2-yl-2H-benzimidazol-2-ide);tris(2-(6-phenyl-2-pyridinyl)phenol);platinum;platinum(2+);bis(platinum(4+))
CID 157228622
2,4-Ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157242621

Frequently Asked Questions

What is the IUPAC name of bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The IUPAC name of bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) (CID 160965829) is bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide).
What is the SMILES notation for bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The canonical SMILES for bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) is Cc1ccc(O)c(-n2nc3ccccc3n2)c1.Cc1ccc(O)c(-n2nc3ccccc3n2)c1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The InChIKey is ZGWCELYKBGZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10N.2C13H11N3O.4C12H8N3.4C11H8N.3C5HF6N2.3Cu.6Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;/h4*1-7,9-11H;2*2-8,17H,1H3;4*1-8H;4*1-6,8-9H;3*1H;;;;;;;;;/q4*-1;;;11*-1;3*+1;;;;;;.
What are the key properties of bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) has a molecular weight of 4614.28 g/mol, XLogP of 45.09, 14 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(benzotriazol-2-yl)-4-methylphenol);tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));hexakis(iridium);tetrakis(1-phenylisoquinoline);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) is sourced from PubChem (CID 160965829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).