3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide

C121H141Ir6N13O8-6 — CID 157067779

IUPAC3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1c[c-]c(-c2cccnn2)c(C)c1.Cc1c[c-]c(-c2ccncn2)c(C)c1.Cc1c[c-]c(-c2ncccn2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cccnn1.[c-]1ccc(-c2ccccc2)cc1-c1cnccn1.[c-]1cnncc1-c1ccccn1
InChIInChI=1S/2C16H11N2.3C12H11N2.4C11H20O2.C9H6N3.6Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-10-5-11-17-18-16;1-2-5-13(6-3-1)14-7-4-8-15(11-14)16-12-17-9-10-18-16;1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12;1-9-3-4-11(10(2)7-9)12-5-6-13-8-14-12;1-9-5-6-11(10(2)8-9)12-4-3-7-13-14-12;4*1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-5-10-9(3-1)8-4-6-11-12-7-8;;;;;;/h1-8,10-12H;1-7,9-12H;3-4,6-8H,1-2H3;3,5-8H,1-2H3;3-5,7-8H,1-2H3;4*7,12H,1-6H3;1-3,5-7H;;;;;;/q5*-1;;;;;-1;;;;;;
InChIKeyZGFDZDCRHMEDQC-UHFFFAOYSA-N
MW3058.84 g/mol
LogP28.59
Rot. Bonds12

About 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide

3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide (PubChem CID 157067779) has the molecular formula C121H141Ir6N13O8-6 and a molecular weight of 3058.84 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide.

Molecular Properties

Compound Name3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide
PubChem CID157067779
Molecular FormulaC121H141Ir6N13O8-6
Molecular Weight3058.84 g/mol
Exact Mass3061.88
IUPAC Name3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1c[c-]c(-c2cccnn2)c(C)c1.Cc1c[c-]c(-c2ccncn2)c(C)c1.Cc1c[c-]c(-c2ncccn2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cccnn1.[c-]1ccc(-c2ccccc2)cc1-c1cnccn1.[c-]1cnncc1-c1ccccn1
InChIInChI=1S/2C16H11N2.3C12H11N2.4C11H20O2.C9H6N3.6Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-10-5-11-17-18-16;1-2-5-13(6-3-1)14-7-4-8-15(11-14)16-12-17-9-10-18-16;1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12;1-9-3-4-11(10(2)7-9)12-5-6-13-8-14-12;1-9-5-6-11(10(2)8-9)12-4-3-7-13-14-12;4*1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-5-10-9(3-1)8-4-6-11-12-7-8;;;;;;/h1-8,10-12H;1-7,9-12H;3-4,6-8H,1-2H3;3,5-8H,1-2H3;3-5,7-8H,1-2H3;4*7,12H,1-6H3;1-3,5-7H;;;;;;/q5*-1;;;;;-1;;;;;;
InChIKeyZGFDZDCRHMEDQC-UHFFFAOYSA-N
XLogP28.59
TPSA316.77 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003058.84
LogP ≤ 528.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide with MolForge

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Launch Full Analysis

Related Compounds

bis(3-chloro-6-phenylpyridazine);tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);2-(1H-naphthalen-1-id-2-yl)pyrazine;2-(2H-naphthalen-2-id-1-yl)pyrimidine;2-phenyl-5-(trifluoromethyl)pyridine
CID 157109626
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
CID 157693906
CID 157693906
Bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157780954
5-Tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;2-cyclohepta-1,3,5-trien-1-yl-1-phenylimidazole;2-cyclohepta-1,3,5-trien-1-ylpyridine;2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine;2-cyclopenta-1,3-dien-1-ylpyridine;4-(7,7-dimethylcyclohepta-1,3,5-trien-1-yl)pyrimidine;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tris(iridium);platinum
CID 158065335
3-(4-Tert-butylbenzene-6-id-1-yl)imidazo[1,5-a]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyrazolo[1,5-a]pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(iridium);tris(2-phenylpyrazolo[1,5-a]pyridine)
CID 158215540
Pentazinc;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 158445445
bis(3-chloro-6-phenylpyridazine);pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);7-methyl-1-(4-methylbenzene-6-id-1-yl)phthalazine;2-(1H-naphthalen-1-id-2-yl)pyrazine;2-(2H-naphthalen-2-id-1-yl)pyrimidine;2-phenylquinoxaline;2-phenyl-5-(trifluoromethyl)pyridine
CID 158455382
4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine
CID 159829758
Bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159926754
N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol
CID 161204485
CID 161628659
CID 161628659

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide?
The IUPAC name of 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide (CID 157067779) is 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide.
What is the SMILES notation for 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide?
The canonical SMILES for 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1c[c-]c(-c2cccnn2)c(C)c1.Cc1c[c-]c(-c2ccncn2)c(C)c1.Cc1c[c-]c(-c2ncccn2)c(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cccnn1.[c-]1ccc(-c2ccccc2)cc1-c1cnccn1.[c-]1cnncc1-c1ccccn1.
What is the InChIKey of 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide?
The InChIKey is ZGFDZDCRHMEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11N2.3C12H11N2.4C11H20O2.C9H6N3.6Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-10-5-11-17-18-16;1-2-5-13(6-3-1)14-7-4-8-15(11-14)16-12-17-9-10-18-16;1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12;1-9-3-4-11(10(2)7-9)12-5-6-13-8-14-12;1-9-5-6-11(10(2)8-9)12-4-3-7-13-14-12;4*1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-5-10-9(3-1)8-4-6-11-12-7-8;;;;;;/h1-8,10-12H;1-7,9-12H;3-4,6-8H,1-2H3;3,5-8H,1-2H3;3-5,7-8H,1-2H3;4*7,12H,1-6H3;1-3,5-7H;;;;;;/q5*-1;;;;;-1;;;;;;.
What are the key properties of 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide?
3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide has a molecular weight of 3058.84 g/mol, XLogP of 28.59, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzene-6-id-1-yl)pyridazine;2-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;4-(2,4-dimethylbenzene-6-id-1-yl)pyrimidine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyrazine;3-(3-phenylbenzene-6-id-1-yl)pyridazine;5-pyridin-2-yl-4H-pyridazin-4-ide is sourced from PubChem (CID 157067779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).