N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum

C128H102Ir3N15OPt-4 — CID 162275213

IUPACN,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum
SMILESCCc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Pt].c1ccc(CN(CCCN(Cc2ncc[n-]2)C[n+]2ccc[n-]2)Cc2ncc[n-]2)nc1
InChIInChI=1S/C26H17N.2C25H17N2.C21H25N9.C18H14O.C13H12N.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-2-6-22-19(5-1)15-28(16-20-23-8-9-24-20)12-4-13-29(17-21-25-10-11-26-21)18-30-14-3-7-27-30;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;1-3,5-11,14H,4,12-13,15-18H2;1-13,19H;3-7,9-10H,2H2,1H3;;;;/q-2;2*-1;-2;;-1;;;+3;
InChIKeyJDPYPLIPBRMLGH-UHFFFAOYSA-N
MW2638.06 g/mol
LogP27.49
Rot. Bonds22

About N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum

N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum (PubChem CID 162275213) has the molecular formula C128H102Ir3N15OPt-4 and a molecular weight of 2638.06 g/mol. Its IUPAC name is N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum.

Molecular Properties

Compound NameN,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum
PubChem CID162275213
Molecular FormulaC128H102Ir3N15OPt-4
Molecular Weight2638.06 g/mol
Exact Mass2638.69
IUPAC NameN,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum
SMILESCCc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Pt].c1ccc(CN(CCCN(Cc2ncc[n-]2)C[n+]2ccc[n-]2)Cc2ncc[n-]2)nc1
InChIInChI=1S/C26H17N.2C25H17N2.C21H25N9.C18H14O.C13H12N.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-2-6-22-19(5-1)15-28(16-20-23-8-9-24-20)12-4-13-29(17-21-25-10-11-26-21)18-30-14-3-7-27-30;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;1-3,5-11,14H,4,12-13,15-18H2;1-13,19H;3-7,9-10H,2H2,1H3;;;;/q-2;2*-1;-2;;-1;;;+3;
InChIKeyJDPYPLIPBRMLGH-UHFFFAOYSA-N
XLogP27.49
TPSA188.90 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002638.06
LogP ≤ 527.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum with MolForge

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Related Compounds

Tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157371103
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
CID 157617296
CID 157617296
CID 158431192
CID 158431192
CID 159096807
CID 159096807
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159471047
2-[4-tert-butyl-6-[4-tert-butyl-6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[6-[3-[2-(dimethylamino)phenyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;platinum;tris(platinum(2+))
CID 159624539
CID 159980703
CID 159980703
CID 160370143
CID 160370143
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
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
CID 161157436
CID 161157436

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum?
The IUPAC name of N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum (CID 162275213) is N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum.
What is the SMILES notation for N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum?
The canonical SMILES for N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum is CCc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]ccc3ccccc23)nc(-c2[c-]ccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Pt].c1ccc(CN(CCCN(Cc2ncc[n-]2)C[n+]2ccc[n-]2)Cc2ncc[n-]2)nc1.
What is the InChIKey of N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum?
The InChIKey is JDPYPLIPBRMLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N.2C25H17N2.C21H25N9.C18H14O.C13H12N.3Ir.Pt/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27-26(17-18)24-15-7-11-20-9-3-5-13-22(20)24;2*1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;1-2-6-22-19(5-1)15-28(16-20-23-8-9-24-20)12-4-13-29(17-21-25-10-11-26-21)18-30-14-3-7-27-30;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11;;;;/h2-13,16-17H,1H3;2*2-15H,1H3;1-3,5-11,14H,4,12-13,15-18H2;1-13,19H;3-7,9-10H,2H2,1H3;;;;/q-2;2*-1;-2;;-1;;;+3;.
What are the key properties of N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum?
N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum has a molecular weight of 2638.06 g/mol, XLogP of 27.49, 22 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(imidazol-3-id-2-ylmethyl)-N'-(pyrazol-2-ium-1-id-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2,6-diphenylphenol;2-ethyl-6-phenylpyridine;bis(iridium);iridium(3+);bis(1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline);4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine;platinum is sourced from PubChem (CID 162275213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).