2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide

C314H301F2Ir16N25O12-20 — CID 157456764

IUPAC2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.Cc1cnc(-c2[c-]cccc2)c2ccccc12.Cc1cnc(-c2[c-]cccc2)c2ccccc12.FC(F)(c1[c-]cccc1)c1ccccn1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
InChIInChI=1S/2C16H12N.C16H16N.C16H18N.C15H12O2.8C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.2C11H8N.C11H20O2.C8H6N3.C6H5NO2.3C5H8O2.16Ir/c2*1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;1-2-8-14(9-3-1)16(11-5-6-12-16)15-10-4-7-13-17-15;1-3-16(4-2,14-10-6-5-7-11-14)15-12-8-9-13-17-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;7*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-4-9-7(3-1)8-10-5-6-11-8;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;/h2*2-7,9-11H,1H3;1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;7*3-8,10-11H,1-2H3;1-5,7,10,12H,6,9,11H2;1-6,8,11H,9-10H2;1-6,8-9H;1-8H;2*1-6,8-9H,10H2;2*1-6,8-9H;7,12H,1-6H3;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;;/q4*-1;;15*-1;;-1;;;;;;;;;;;;;;;;;;;;
InChIKeyJONLVAVAJMJGBD-UHFFFAOYSA-N
MW7730.49 g/mol
LogP70.76
Rot. Bonds47

About 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide

2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide (PubChem CID 157456764) has the molecular formula C314H301F2Ir16N25O12-20 and a molecular weight of 7730.49 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
PubChem CID157456764
Molecular FormulaC314H301F2Ir16N25O12-20
Molecular Weight7730.49 g/mol
Exact Mass7738.79
IUPAC Name2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.Cc1cnc(-c2[c-]cccc2)c2ccccc12.Cc1cnc(-c2[c-]cccc2)c2ccccc12.FC(F)(c1[c-]cccc1)c1ccccn1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
InChIInChI=1S/2C16H12N.C16H16N.C16H18N.C15H12O2.8C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.2C11H8N.C11H20O2.C8H6N3.C6H5NO2.3C5H8O2.16Ir/c2*1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;1-2-8-14(9-3-1)16(11-5-6-12-16)15-10-4-7-13-17-15;1-3-16(4-2,14-10-6-5-7-11-14)15-12-8-9-13-17-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;7*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-4-9-7(3-1)8-10-5-6-11-8;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;/h2*2-7,9-11H,1H3;1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;7*3-8,10-11H,1-2H3;1-5,7,10,12H,6,9,11H2;1-6,8,11H,9-10H2;1-6,8-9H;1-8H;2*1-6,8-9H,10H2;2*1-6,8-9H;7,12H,1-6H3;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;;/q4*-1;;15*-1;;-1;;;;;;;;;;;;;;;;;;;;
InChIKeyJONLVAVAJMJGBD-UHFFFAOYSA-N
XLogP70.76
TPSA548.47 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds47
Heavy Atoms369
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007730.49
LogP ≤ 570.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[difluoro(phenyl)methyl]pyridine;bis(4-hydroxypent-3-en-2-one);octakis(iridium);bis(2-(1-methyl-3,7-dihydro-2H-inden-7-id-1-yl)pyridine);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;2-(3-phenylpentan-3-yl)pyridine;2-(2-phenylpropan-2-yl)pyridine;2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
CID 157065934
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157230279
2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;pentadecakis(iridium);bis(2-(1-methyl-3,7-dihydro-2H-inden-7-id-1-yl)pyridine);2-(1-methyl-7H-inden-7-id-1-yl)pyridine;bis(2-(1-phenylcyclopentyl)pyridine);2-(2-phenylethyl)pyridine;2-(3-phenylpentan-3-yl)pyridine;hexakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(pyridine-2-carboxylic acid);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
CID 157264944
CID 157318784
CID 157318784
CID 157464434
CID 157464434
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157533021
1-(3H-furan-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;3-hydroxy-1-phenylbut-2-en-1-one;pentakis(iridium);bis(1-(3H-naphthalen-3-id-2-yl)isoquinoline);4-phenylpteridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)pyridine
CID 157603072
CID 157758504
CID 157758504
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157783484
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157810802
CID 157928826
CID 157928826

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide?
The IUPAC name of 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide (CID 157456764) is 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide?
The canonical SMILES for 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.Cc1cnc(-c2[c-]cccc2)c2ccccc12.Cc1cnc(-c2[c-]cccc2)c2ccccc12.FC(F)(c1[c-]cccc1)c1ccccn1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1.
What is the InChIKey of 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide?
The InChIKey is JONLVAVAJMJGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N.C16H16N.C16H18N.C15H12O2.8C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.2C11H8N.C11H20O2.C8H6N3.C6H5NO2.3C5H8O2.16Ir/c2*1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;1-2-8-14(9-3-1)16(11-5-6-12-16)15-10-4-7-13-17-15;1-3-16(4-2,14-10-6-5-7-11-14)15-12-8-9-13-17-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;7*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14;1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-4-9-7(3-1)8-10-5-6-11-8;8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;/h2*2-7,9-11H,1H3;1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;7*3-8,10-11H,1-2H3;1-5,7,10,12H,6,9,11H2;1-6,8,11H,9-10H2;1-6,8-9H;1-8H;2*1-6,8-9H,10H2;2*1-6,8-9H;7,12H,1-6H3;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;;/q4*-1;;15*-1;;-1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide?
2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide has a molecular weight of 7730.49 g/mol, XLogP of 70.76, 47 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide is sourced from PubChem (CID 157456764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).