(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium

C205H167F3Ir4N8O8+4 — CID 157086048

About (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium

(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium (PubChem CID 157086048) has the molecular formula C205H167F3Ir4N8O8+4 and a molecular weight of 3696.50 g/mol. Its IUPAC name is (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium.

Molecular Properties

• Compound Name: (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
• PubChem CID: 157086048
• Molecular Formula: C205H167F3Ir4N8O8+4
• Molecular Weight: 3696.50 g/mol
• Exact Mass: 3697.14
• IUPAC Name: (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
• SMILES: Cc1cc[c-]c(-c2nccc3c2ccc2ccccc23)c1.Cc1cccc(-c2[nH+]ccc3c2ccc2ccccc23)c1.[H]/[O+]=C(/C=C(C)O)C(F)(F)F.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(\C)C(C)=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1
• InChI: InChI=1S/3C23H15N.3C23H14N.C20H15N.C20H14N.C11H20O2.C6H10O2.C5H5F3O2.C5H8O2.4Ir/c6*1-2-7-18-15-19(10-9-16(18)5-1)23-22-12-11-17-6-3-4-8-20(17)21(22)13-14-24-23;2*1-14-5-4-7-16(13-14)20-19-10-9-15-6-2-3-8-17(15)18(19)11-12-21-20;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(5(2)7)6(3)8;1-3(9)2-4(10)5(6,7)8;1-4(6)3-5(2)7;;;;/h3*1-15H;3*1-9,11-15H;2-13H,1H3;2-6,8-13H,1H3;7,12H,1-6H3;7H,1-3H3;2,9H,1H3;3,6H,1-2H3;;;;/q;;;3*-1;;-1;;;;;;;;/p+8
• InChIKey: KEYHBWWUFFEZCU-UHFFFAOYSA-V
• XLogP: 51.88
• TPSA: 274.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3696.50
LogP ≤ 5	51.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium?

The IUPAC name of (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium (CID 157086048) is (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium.

What is the SMILES notation for (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium?

The canonical SMILES for (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium is Cc1cc[c-]c(-c2nccc3c2ccc2ccccc23)c1.Cc1cccc(-c2[nH+]ccc3c2ccc2ccccc23)c1.[H]/[O+]=C(/C=C(C)O)C(F)(F)F.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(\C)C(C)=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.[c-]1cc2ccccc2cc1-c1nccc2c1ccc1ccccc12.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3[nH+]ccc4c3ccc3ccccc34)ccc2c1.

What is the InChIKey of (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium?

The InChIKey is KEYHBWWUFFEZCU-UHFFFAOYSA-V. The full InChI is InChI=1S/3C23H15N.3C23H14N.C20H15N.C20H14N.C11H20O2.C6H10O2.C5H5F3O2.C5H8O2.4Ir/c6*1-2-7-18-15-19(10-9-16(18)5-1)23-22-12-11-17-6-3-4-8-20(17)21(22)13-14-24-23;2*1-14-5-4-7-16(13-14)20-19-10-9-15-6-2-3-8-17(15)18(19)11-12-21-20;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(5(2)7)6(3)8;1-3(9)2-4(10)5(6,7)8;1-4(6)3-5(2)7;;;;/h3*1-15H;3*1-9,11-15H;2-13H,1H3;2-6,8-13H,1H3;7,12H,1-6H3;7H,1-3H3;2,9H,1H3;3,6H,1-2H3;;;;/q;;;3*-1;;-1;;;;;;;;/p+8.

What are the key properties of (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium?

(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium has a molecular weight of 3696.50 g/mol, XLogP of 51.88, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium is sourced from PubChem (CID 157086048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).