2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide

C111H112F10Ir3N6O12Pt3 — CID 158796977

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide (PubChem CID 158796977) has the molecular formula C111H112F10Ir3N6O12Pt3 and a molecular weight of 3074.01 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide
• PubChem CID: 158796977
• Molecular Formula: C111H112F10Ir3N6O12Pt3
• Molecular Weight: 3074.01 g/mol
• Exact Mass: 3074.60
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide
• SMILES: CC1(C)c2ccc[c-]c2-c2ncccc2C1(C)C.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1C(F)(F)F.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2c1-c1ncccc1CC2.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C17H18N.C15H10N.C13H8F4N.C13H10N.C12H6F4N.C11H6F2N.6C5H8O2.3Ir.3Pt/c1-16(2)13-9-6-5-8-12(13)15-14(17(16,3)4)10-7-11-18-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-4-5-18-12(6-8)9-2-3-11(14)10(7-9)13(15,16)17;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-4(6)3-5(2)7;;;;;;/h5-7,9-11H,1-4H3;1-7,9-11H;3-7H,1H3;1-5,9H,7-8H2;1-3,5-7H;1-4,6-7H;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;/p+6
• InChIKey: ZZGGVKLFJGFNJW-UHFFFAOYSA-T
• XLogP: 27.08
• TPSA: 327.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3074.01
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide (CID 158796977) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide is CC1(C)c2ccc[c-]c2-c2ncccc2C1(C)C.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1C(F)(F)F.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2c1-c1ncccc1CC2.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide?

The InChIKey is ZZGGVKLFJGFNJW-UHFFFAOYSA-T. The full InChI is InChI=1S/C17H18N.C15H10N.C13H8F4N.C13H10N.C12H6F4N.C11H6F2N.6C5H8O2.3Ir.3Pt/c1-16(2)13-9-6-5-8-12(13)15-14(17(16,3)4)10-7-11-18-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-8-4-5-18-12(6-8)9-2-3-11(14)10(7-9)13(15,16)17;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-4(6)3-5(2)7;;;;;;/h5-7,9-11H,1-4H3;1-7,9-11H;3-7H,1H3;1-5,9H,7-8H2;1-3,5-7H;1-4,6-7H;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;/p+6.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide has a molecular weight of 3074.01 g/mol, XLogP of 27.08, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;6,10-dihydro-5H-benzo[h]quinolin-10-ide;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);1-phenylisoquinoline;platinum;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide is sourced from PubChem (CID 158796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).