tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

C91H60F20Ir5N13O4-2 — CID 160783233

About tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (PubChem CID 160783233) has the molecular formula C91H60F20Ir5N13O4-2 and a molecular weight of 2740.61 g/mol. Its IUPAC name is tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• PubChem CID: 160783233
• Molecular Formula: C91H60F20Ir5N13O4-2
• Molecular Weight: 2740.61 g/mol
• Exact Mass: 2743.27
• IUPAC Name: tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• SMILES: CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C12H10N.C11H6F2N.C11H8N.2C10H4F3N2.3C9H6F2N2.C5H2F6O2.C5H8O2.5Ir/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*11-6-3-4-14-8(5-6)7-1-2-9(12)15-10(7)13;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;/h2-7,9H,1H3;1-4,6-7H;1-6,8-9H;2*2-5H;3*1-2,4-6,13H;1,12H;3,6H,1-2H3;;;;;/q5*-1;3*-2;;;;;3*+3/b;;;;;3*5-1-
• InChIKey: XRCKOCXNBQXEKW-RBYZMKLUSA-N
• XLogP: 23.09
• TPSA: 267.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.61
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The IUPAC name of tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (CID 160783233) is tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

What is the SMILES notation for tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The canonical SMILES for tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1ccnc(-c2[c-]cc(F)nc2F)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[N-]=C/C=C\Nc1[c-]cc(F)cc1F.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The InChIKey is XRCKOCXNBQXEKW-RBYZMKLUSA-N. The full InChI is InChI=1S/C12H10N.C11H6F2N.C11H8N.2C10H4F3N2.3C9H6F2N2.C5H2F6O2.C5H8O2.5Ir/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*11-6-3-4-14-8(5-6)7-1-2-9(12)15-10(7)13;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12;6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;/h2-7,9H,1H3;1-4,6-7H;1-6,8-9H;2*2-5H;3*1-2,4-6,13H;1,12H;3,6H,1-2H3;;;;;/q5*-1;3*-2;;;;;3*+3/b;;;;;3*5-1-;;;;;;;.

What are the key properties of tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine has a molecular weight of 2740.61 g/mol, XLogP of 23.09, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tris([(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(2,6-difluoro-3-(4-fluoro-2-pyridinyl)-4H-pyridin-4-ide);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(iridium);tris(iridium(3+));2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 160783233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).