5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one

C138H140Ir4N4O12-4 — CID 160725517

IUPAC5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one
SMILESCC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2nc3c(c4ccccc24)-c2ccc(C)cc2C3=O)cc(C)c1.Cc1[c-]c(-c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)cc(C)c1.Cc1ccc2c(c1)C(=O)c1nc(-c3[c-]cccc3)c3ccccc3c1-2.O=C1c2ccccc2-c2nc(-c3[c-]cccc3)c3ccccc3c21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H18NO.C24H16NO.C23H14NO.C22H12NO.4C11H20O2.4Ir/c1-14-8-9-19-21(13-14)25(27)24-22(19)18-6-4-5-7-20(18)23(26-24)17-11-15(2)10-16(3)12-17;1-14-11-15(2)13-16(12-14)22-18-8-4-3-7-17(18)21-23(25-22)19-9-5-6-10-20(19)24(21)26;1-14-11-12-17-19(13-14)23(25)22-20(17)16-9-5-6-10-18(16)21(24-22)15-7-3-2-4-8-15;24-22-18-13-7-6-12-17(18)21-19(22)15-10-4-5-11-16(15)20(23-21)14-8-2-1-3-9-14;4*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h4-11,13H,1-3H3;3-12H,1-2H3;2-7,9-13H,1H3;1-8,10-13H;4*7-9,12H,5-6H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyDBVHEOPCYLAZTI-UHFFFAOYSA-N
MW2815.52 g/mol
LogP33.85
Rot. Bonds24

About 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one

5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one (PubChem CID 160725517) has the molecular formula C138H140Ir4N4O12-4 and a molecular weight of 2815.52 g/mol. Its IUPAC name is 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one.

Molecular Properties

Compound Name5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one
PubChem CID160725517
Molecular FormulaC138H140Ir4N4O12-4
Molecular Weight2815.52 g/mol
Exact Mass2816.90
IUPAC Name5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one
SMILESCC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2nc3c(c4ccccc24)-c2ccc(C)cc2C3=O)cc(C)c1.Cc1[c-]c(-c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)cc(C)c1.Cc1ccc2c(c1)C(=O)c1nc(-c3[c-]cccc3)c3ccccc3c1-2.O=C1c2ccccc2-c2nc(-c3[c-]cccc3)c3ccccc3c21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H18NO.C24H16NO.C23H14NO.C22H12NO.4C11H20O2.4Ir/c1-14-8-9-19-21(13-14)25(27)24-22(19)18-6-4-5-7-20(18)23(26-24)17-11-15(2)10-16(3)12-17;1-14-11-15(2)13-16(12-14)22-18-8-4-3-7-17(18)21-23(25-22)19-9-5-6-10-20(19)24(21)26;1-14-11-12-17-19(13-14)23(25)22-20(17)16-9-5-6-10-18(16)21(24-22)15-7-3-2-4-8-15;24-22-18-13-7-6-12-17(18)21-19(22)15-10-4-5-11-16(15)20(23-21)14-8-2-1-3-9-14;4*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h4-11,13H,1-3H3;3-12H,1-2H3;2-7,9-13H,1H3;1-8,10-13H;4*7-9,12H,5-6H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyDBVHEOPCYLAZTI-UHFFFAOYSA-N
XLogP33.85
TPSA269.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002815.52
LogP ≤ 533.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'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'}

Analyze 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627691
2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627665
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;4-(4-fluorophenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline;5-(4-fluorophenyl)-2-phenylquinoline;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 160744997
6-(3,5-dimethylbenzene-6-id-1-yl)indeno[2,1-c]quinolin-7-one;iridium;5-methyl-2-phenylpyridine
CID 154625685
4-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-f]isoquinolin-11-one;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 154625648
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 158091446
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 163976504
2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)
CID 157158302
(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159042752
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 159459244
4-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-f]isoquinolin-7-one;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 154625570

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one?
The IUPAC name of 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one (CID 160725517) is 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one.
What is the SMILES notation for 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one?
The canonical SMILES for 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one is CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2nc3c(c4ccccc24)-c2ccc(C)cc2C3=O)cc(C)c1.Cc1[c-]c(-c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)cc(C)c1.Cc1ccc2c(c1)C(=O)c1nc(-c3[c-]cccc3)c3ccccc3c1-2.O=C1c2ccccc2-c2nc(-c3[c-]cccc3)c3ccccc3c21.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one?
The InChIKey is DBVHEOPCYLAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NO.C24H16NO.C23H14NO.C22H12NO.4C11H20O2.4Ir/c1-14-8-9-19-21(13-14)25(27)24-22(19)18-6-4-5-7-20(18)23(26-24)17-11-15(2)10-16(3)12-17;1-14-11-15(2)13-16(12-14)22-18-8-4-3-7-17(18)21-23(25-22)19-9-5-6-10-20(19)24(21)26;1-14-11-12-17-19(13-14)23(25)22-20(17)16-9-5-6-10-18(16)21(24-22)15-7-3-2-4-8-15;24-22-18-13-7-6-12-17(18)21-19(22)15-10-4-5-11-16(15)20(23-21)14-8-2-1-3-9-14;4*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;/h4-11,13H,1-3H3;3-12H,1-2H3;2-7,9-13H,1H3;1-8,10-13H;4*7-9,12H,5-6H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one?
5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one has a molecular weight of 2815.52 g/mol, XLogP of 33.85, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one is sourced from PubChem (CID 160725517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).