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

C298H295F2Ir15N25O14-18 — CID 157264944

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);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

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 (PubChem CID 157264944) has the molecular formula C298H295F2Ir15N25O14-18 and a molecular weight of 7372.05 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);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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157264944
• Molecular Formula: C298H295F2Ir15N25O14-18
• Molecular Weight: 7372.05 g/mol
• Exact Mass: 7379.76
• IUPAC Name: 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
• SMILES: 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.CC1(c2ccccn2)C=Cc2ccc[c-]c21.CC1(c2ccccn2)CCc2ccc[c-]c21.CC1(c2ccccn2)CCc2ccc[c-]c21.CCC(CC)(c1[c-]cccc1)c1ccccn1.FC(F)(c1[c-]cccc1)c1ccccn1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.c1ccc(-c2ccc[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2ncc[n-]2)nc1
• InChI: InChI=1S/2C16H16N.C16H18N.2C15H14N.C15H12N.C15H12O2.7C14H14N.C13H12N.C12H8F2N.C12H8N3.C11H20O2.C9H7N2.C8H6N3.2C6H5NO2.3C5H8O2.15Ir/c2*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;3*1-15(14-8-4-5-11-16-14)10-9-12-6-2-3-7-13(12)15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;6*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;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;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h2*1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;2*2-6,8,11H,9-10H2,1H3;2-6,8-11H,1H3;1-11,16H;6*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;7,12H,1-6H3;1-7H;1-6H;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;/q6*-1;;10*-1;;2*-1
• InChIKey: ZTYGCSCISBSQDJ-UHFFFAOYSA-N
• XLogP: 65.20
• TPSA: 586.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 354
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7372.05
LogP ≤ 5	65.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

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);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?

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);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) 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);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.

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);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?

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);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 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.CC1(c2ccccn2)C=Cc2ccc[c-]c21.CC1(c2ccccn2)CCc2ccc[c-]c21.CC1(c2ccccn2)CCc2ccc[c-]c21.CCC(CC)(c1[c-]cccc1)c1ccccn1.FC(F)(c1[c-]cccc1)c1ccccn1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1C1(c2ccccn2)CCCC1.[c-]1ccccc1CCCc1ccccn1.[c-]1ccccc1CCc1ccccn1.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);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?

The InChIKey is ZTYGCSCISBSQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N.C16H18N.2C15H14N.C15H12N.C15H12O2.7C14H14N.C13H12N.C12H8F2N.C12H8N3.C11H20O2.C9H7N2.C8H6N3.2C6H5NO2.3C5H8O2.15Ir/c2*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;3*1-15(14-8-4-5-11-16-14)10-9-12-6-2-3-7-13(12)15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;6*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;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;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h2*1-4,7-8,10,13H,5-6,11-12H2;5-10,12-13H,3-4H2,1-2H3;2*2-6,8,11H,9-10H2,1H3;2-6,8-11H,1H3;1-11,16H;6*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;7,12H,1-6H3;1-7H;1-6H;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;;;;;/q6*-1;;10*-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);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?

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 has a molecular weight of 7372.05 g/mol, XLogP of 65.20, 44 rotatable bonds, 7 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;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 is sourced from PubChem (CID 157264944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).