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);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine

C283H282F2Ir15N24O12-18 — CID 159210056

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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
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.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.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].[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
InChIInChI=1S/C16H16N.C16H18N.C15H12O2.9C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.C11H20O2.C9H7N2.C8H6N3.C6H5NO2.3C5H8O2.15Ir/c1-2-8-14(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;8*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;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;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;;;;;;;;;;;;;;;/h1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;8*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;7,12H,1-6H3;1-7H;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;/q2*-1;;14*-1;;2*-1;;;;;;;;;;;;;;;;;;;
InChIKeyVMZQCQIORJYMMK-UHFFFAOYSA-N
MW7132.78 g/mol
LogP62.55
Rot. Bonds46

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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine

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);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine (PubChem CID 159210056) has the molecular formula C283H282F2Ir15N24O12-18 and a molecular weight of 7132.78 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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine.

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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
PubChem CID159210056
Molecular FormulaC283H282F2Ir15N24O12-18
Molecular Weight7132.78 g/mol
Exact Mass7140.67
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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
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.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.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].[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
InChIInChI=1S/C16H16N.C16H18N.C15H12O2.9C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.C11H20O2.C9H7N2.C8H6N3.C6H5NO2.3C5H8O2.15Ir/c1-2-8-14(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;8*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;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;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;;;;;;;;;;;;;;;/h1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;8*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;7,12H,1-6H3;1-7H;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;/q2*-1;;14*-1;;2*-1;;;;;;;;;;;;;;;;;;;
InChIKeyVMZQCQIORJYMMK-UHFFFAOYSA-N
XLogP62.55
TPSA536.79 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds46
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007132.78
LogP ≤ 562.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine with MolForge

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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-(4,5-Diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;ZINC
CID 157093036
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
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(3-fluoropyrazol-1-id-5-yl)pyridine;2-(5-fluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pentakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157335050
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
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
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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?
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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine (CID 159210056) 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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine.
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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?
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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine 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.CC(C)(c1[c-]cccc1)c1ccccn1.CCC(CC)(c1[c-]cccc1)c1ccccn1.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].[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccc[n-]2)nc1.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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?
The InChIKey is VMZQCQIORJYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N.C16H18N.C15H12O2.9C14H14N.C13H12N.C12H8F2N.C12H8N3.2C12H10N.C11H20O2.C9H7N2.C8H6N3.C6H5NO2.3C5H8O2.15Ir/c1-2-8-14(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;8*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;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;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;;;;;;;;;;;;;;;/h1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;1-11,16H;8*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;7,12H,1-6H3;1-7H;1-6H;1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;/q2*-1;;14*-1;;2*-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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine?
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);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine has a molecular weight of 7132.78 g/mol, XLogP of 62.55, 46 rotatable bonds, 6 hydrogen bond donors, and 32 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;pentadecakis(iridium);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;octakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine is sourced from PubChem (CID 159210056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).