2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline

C118H90Ir3N6O-6 — CID 159002724

IUPAC2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
SMILESCC(=O)c1ccc(-c2[c-]cccc2)nc1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C26H22N.C25H20N.C24H18N.2C15H10N.C13H10NO.3Ir/c1-4-17-9-12-20-21-13-10-19(16-23(21)26(2,3)22(20)15-17)25-14-11-18-7-5-6-8-24(18)27-25;1-16-8-11-19-20-12-9-18(15-22(20)25(2,3)21(19)14-16)24-13-10-17-6-4-5-7-23(17)26-24;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(15)12-7-8-13(14-9-12)11-5-3-2-4-6-11;;;/h5-9,11-16H,4H2,1-3H3;4-8,10-15H,1-3H3;3-10,12-15H,1-2H3;2*1-6,8-11H;2-5,7-9H,1H3;;;/q6*-1;;;
InChIKeyCFAFGSWPKAEGGF-UHFFFAOYSA-N
MW2184.71 g/mol
LogP29.04
Rot. Bonds8

About 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline (PubChem CID 159002724) has the molecular formula C118H90Ir3N6O-6 and a molecular weight of 2184.71 g/mol. Its IUPAC name is 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline.

Molecular Properties

Compound Name2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
PubChem CID159002724
Molecular FormulaC118H90Ir3N6O-6
Molecular Weight2184.71 g/mol
Exact Mass2185.61
IUPAC Name2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
SMILESCC(=O)c1ccc(-c2[c-]cccc2)nc1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C26H22N.C25H20N.C24H18N.2C15H10N.C13H10NO.3Ir/c1-4-17-9-12-20-21-13-10-19(16-23(21)26(2,3)22(20)15-17)25-14-11-18-7-5-6-8-24(18)27-25;1-16-8-11-19-20-12-9-18(15-22(20)25(2,3)21(19)14-16)24-13-10-17-6-4-5-7-23(17)26-24;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(15)12-7-8-13(14-9-12)11-5-3-2-4-6-11;;;/h5-9,11-16H,4H2,1-3H3;4-8,10-15H,1-3H3;3-10,12-15H,1-2H3;2*1-6,8-11H;2-5,7-9H,1H3;;;/q6*-1;;;
InChIKeyCFAFGSWPKAEGGF-UHFFFAOYSA-N
XLogP29.04
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002184.71
LogP ≤ 529.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline with MolForge

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Related Compounds

4-Tert-butyl-2-phenylpyridine;4-(3,4-diphenylbenzene-6-id-1-yl)benzo[f]isoquinoline;(5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium(3-));4-(3-methyl-4-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;3-methyl-2-phenylpyridine;4-(3-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-phenylbenzene-6-id-1-yl)-8-propan-2-ylbenzo[f]isoquinoline;4-phenyl-2-phenylpyridine;2-phenylpyridine;(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
CID 157136876
3-(3,5-Dimethylbenzene-6-id-1-yl)-1-fluorobenzo[f]quinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-fluorobenzo[f]quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[h]isoquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(trifluoromethyl)benzo[f]quinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
CID 157182075
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;bis(2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline);heptakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);3-ethyl-4-hydroxypent-3-en-2-one;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);2-phenylpyridine
CID 157287608
2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-6-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(5-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;6-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
CID 157606243
(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;bis(4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one);4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;methane;hexakis(2,2,2-trifluoroacetic acid)
CID 157674471
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium)
CID 157686881
4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;bis(4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one);pentakis(2,2,2-trifluoroacetic acid)
CID 157859796
10H-benzo[h]quinolin-10-ide;3-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;4-hydroxypent-3-en-2-ylideneoxidanium;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline;2-phenylpyridine
CID 158135256
3,7-Diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[f]isoquinoline;bis(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);7-hydroxy-4,4,8,8-tetramethylundec-6-en-5-one;pentakis(iridium)
CID 158211166
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium)
CID 158307132
3,7-Diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-8-(trifluoromethyl)benzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[h]isoquinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);hexakis(iridium)
CID 158337825
6-Cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;pentakis(iridium);2-phenylpyridine
CID 158468429

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The IUPAC name of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline (CID 159002724) is 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline.
What is the SMILES notation for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The canonical SMILES for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline is CC(=O)c1ccc(-c2[c-]cccc2)nc1.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
The InChIKey is CFAFGSWPKAEGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N.C25H20N.C24H18N.2C15H10N.C13H10NO.3Ir/c1-4-17-9-12-20-21-13-10-19(16-23(21)26(2,3)22(20)15-17)25-14-11-18-7-5-6-8-24(18)27-25;1-16-8-11-19-20-12-9-18(15-22(20)25(2,3)21(19)14-16)24-13-10-17-6-4-5-7-23(17)26-24;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(15)12-7-8-13(14-9-12)11-5-3-2-4-6-11;;;/h5-9,11-16H,4H2,1-3H3;4-8,10-15H,1-3H3;3-10,12-15H,1-2H3;2*1-6,8-11H;2-5,7-9H,1H3;;;/q6*-1;;;.
What are the key properties of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline?
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline has a molecular weight of 2184.71 g/mol, XLogP of 29.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-(7-ethyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(iridium);3-phenylisoquinoline;1-(6-phenyl-3-pyridinyl)ethanone;2-phenylquinoline;2-(7,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline is sourced from PubChem (CID 159002724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).