2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide

C115H88F6Ir3N23O5Pt3-11 — CID 161291855

IUPAC2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[C-]#N.[CH-]=O.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2nc(-c3nc4ccccc4[n-]3)ccc2c1
InChIInChI=1S/C16H10N3.C15H11N4.C12H8N3.C11H6F2N.C11H7FN.C11H8N.C9H5F3N3.2C9H8N3.2C5H8O2.CN.CHO.3Ir.3Pt/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16;1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-10H;2-9H,1H3;1-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;1-5H;2*2-6H,1H3;2*3,6H,1-2H3;;1H;;;;;;/q9*-1;;;2*-1;;;;;;
InChIKeyXCEYOVKGXWGXPU-UHFFFAOYSA-N
MW3148.00 g/mol
LogP23.29
Rot. Bonds11

About 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide

2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide (PubChem CID 161291855) has the molecular formula C115H88F6Ir3N23O5Pt3-11 and a molecular weight of 3148.00 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide.

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide
PubChem CID161291855
Molecular FormulaC115H88F6Ir3N23O5Pt3-11
Molecular Weight3148.00 g/mol
Exact Mass3148.51
IUPAC Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[C-]#N.[CH-]=O.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2nc(-c3nc4ccccc4[n-]3)ccc2c1
InChIInChI=1S/C16H10N3.C15H11N4.C12H8N3.C11H6F2N.C11H7FN.C11H8N.C9H5F3N3.2C9H8N3.2C5H8O2.CN.CHO.3Ir.3Pt/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16;1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-10H;2-9H,1H3;1-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;1-5H;2*2-6H,1H3;2*3,6H,1-2H3;;1H;;;;;;/q9*-1;;;2*-1;;;;;;
InChIKeyXCEYOVKGXWGXPU-UHFFFAOYSA-N
XLogP23.29
TPSA398.34 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003148.00
LogP ≤ 523.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide with MolForge

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Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 59010562
2-(1,2-Diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(1-phenylisoquinoline);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157078080
CID 157110314
CID 157110314
CID 157186529
CID 157186529
CID 157192347
CID 157192347
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);1-phenylisoquinoline;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylquinoline
CID 157210358
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(5-methylimidazol-3-id-4-yl)pyridine;(2,3,4,5,6-pentafluorobenzoyl)-(pyridin-2-ylmethyl)azanide;1-pyridin-2-ylethyl-(2,2,2-trifluoroacetyl)azanide;tris(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157221977
tris(9-ethyl-2-pyrido[2,3-b]pyrazin-3-yl-3H-carbazol-3-ide);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157245609
2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;bis(dimethyl(phenyl)phosphanium);3,4-dimethyl-2-phenylpyridine;3,5-dimethyl-2-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;4-hydroxypentan-2-one;bis(4-hydroxypent-3-en-2-one);decakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157274346
2-[3,5-Bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157319134
Pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 157328163
CID 157333042
CID 157333042

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide (CID 161291855) is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide.
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[C-]#N.[CH-]=O.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2nc(-c3nc4ccccc4[n-]3)ccc2c1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?
The InChIKey is XCEYOVKGXWGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N3.C15H11N4.C12H8N3.C11H6F2N.C11H7FN.C11H8N.C9H5F3N3.2C9H8N3.2C5H8O2.CN.CHO.3Ir.3Pt/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16;1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-10H;2-9H,1H3;1-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;1-5H;2*2-6H,1H3;2*3,6H,1-2H3;;1H;;;;;;/q9*-1;;;2*-1;;;;;;.
What are the key properties of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?
2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide has a molecular weight of 3148.00 g/mol, XLogP of 23.29, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide is sourced from PubChem (CID 161291855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).