2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

C143H122F2Ir4N11O7OsP2Ru-3 — CID 158415030

About 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 158415030) has the molecular formula C143H122F2Ir4N11O7OsP2Ru-3 and a molecular weight of 3266.73 g/mol. Its IUPAC name is 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 158415030
• Molecular Formula: C143H122F2Ir4N11O7OsP2Ru-3
• Molecular Weight: 3266.73 g/mol
• Exact Mass: 3270.62
• IUPAC Name: 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: CC(=O)C1=C(O)CCCC1=O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C)n[n-]2)c1.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.[Ir].[Ir].[Ir].[Ir].[Os+].[Ru+].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C20H13N2.C17H8F2.C17H12N.C15H10N.2C13H13P.C11H8N.C10H8N2.C9H9N4.C8H10O3.2C5H8O2.4Ir.Os.Ru/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-5(9)8-6(10)3-2-4-7(8)11;2*1-4(6)3-5(2)7;;;;;;/h1-11,13-14H;1-6,9-10H;1-9,11-13H;1-7,9-11H;2*2-11H,1H3;1-6,8-9H;1-8H;3-5H,1-2H3;10H,2-4H2,1H3;2*3,6H,1-2H3;;;;;;/q-1;-2;2*-1;;;-1;;-1;;;;;;;;2*+1/p+2
• InChIKey: OWOZETPEBQVWGJ-UHFFFAOYSA-P
• XLogP: 31.21
• TPSA: 271.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3266.73
LogP ≤ 5	31.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 158415030) is 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is CC(=O)C1=C(O)CCCC1=O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C)n[n-]2)c1.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.[Ir].[Ir].[Ir].[Ir].[Os+].[Ru+].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is OWOZETPEBQVWGJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H13N2.C17H8F2.C17H12N.C15H10N.2C13H13P.C11H8N.C10H8N2.C9H9N4.C8H10O3.2C5H8O2.4Ir.Os.Ru/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-5(9)8-6(10)3-2-4-7(8)11;2*1-4(6)3-5(2)7;;;;;;/h1-11,13-14H;1-6,9-10H;1-9,11-13H;1-7,9-11H;2*2-11H,1H3;1-6,8-9H;1-8H;3-5H,1-2H3;10H,2-4H2,1H3;2*3,6H,1-2H3;;;;;;/q-1;-2;2*-1;;;-1;;-1;;;;;;;;2*+1/p+2.

What are the key properties of 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 3266.73 g/mol, XLogP of 31.21, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 158415030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).