10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium

C94H90F4Ir6N6O13 — CID 162137701

About 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium

10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium (PubChem CID 162137701) has the molecular formula C94H90F4Ir6N6O13 and a molecular weight of 2741.08 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium
• PubChem CID: 162137701
• Molecular Formula: C94H90F4Ir6N6O13
• Molecular Weight: 2741.08 g/mol
• Exact Mass: 2744.43
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium
• SMILES: COc1c[c-]c(-c2ncccc2C)cc1.Cc1cc(F)c[c-]c1-c1ncccc1C.Cc1cccnc1-c1[c-]cccc1.[H]/[O+]=C(/O)C(F)(F)F.[H]/[O+]=C(/O)CC.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/2C15H10N.C13H11FN.C13H12NO.C13H8N.C12H10N.C3H6O2.C2HF3O2.4C2H4O2.6Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-4-3-7-15-13(9)12-6-5-11(14)8-10(12)2;1-10-4-3-9-14-13(10)11-5-7-12(15-2)8-6-11;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-3(4)5;3-2(4,5)1(6)7;4*1-2(3)4;;;;;;/h2*1-7,9-11H;3-5,7-8H,1-2H3;3-5,7-9H,1-2H3;1-5,7-9H;2-7,9H,1H3;2H2,1H3,(H,4,5);(H,6,7);4*1H3,(H,3,4);;;;;;/q6*-1;;;;;;;;;;;;/p+6
• InChIKey: GKENSERMDWRAPB-UHFFFAOYSA-T
• XLogP: 20.94
• TPSA: 336.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2741.08
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium (CID 162137701) is 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium is COc1c[c-]c(-c2ncccc2C)cc1.Cc1cc(F)c[c-]c1-c1ncccc1C.Cc1cccnc1-c1[c-]cccc1.[H]/[O+]=C(/O)C(F)(F)F.[H]/[O+]=C(/O)CC.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium?

The InChIKey is GKENSERMDWRAPB-UHFFFAOYSA-T. The full InChI is InChI=1S/2C15H10N.C13H11FN.C13H12NO.C13H8N.C12H10N.C3H6O2.C2HF3O2.4C2H4O2.6Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-9-4-3-7-15-13(9)12-6-5-11(14)8-10(12)2;1-10-4-3-9-14-13(10)11-5-7-12(15-2)8-6-11;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-3(4)5;3-2(4,5)1(6)7;4*1-2(3)4;;;;;;/h2*1-7,9-11H;3-5,7-8H,1-2H3;3-5,7-9H,1-2H3;1-5,7-9H;2-7,9H,1H3;2H2,1H3,(H,4,5);(H,6,7);4*1H3,(H,3,4);;;;;;/q6*-1;;;;;;;;;;;;/p+6.

What are the key properties of 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium?

10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium has a molecular weight of 2741.08 g/mol, XLogP of 20.94, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;tetrakis(1-hydroxyethylideneoxidanium);1-hydroxypropylideneoxidanium;hexakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-phenylpyridine;bis(1-phenylisoquinoline);(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium is sourced from PubChem (CID 162137701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).