2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

C130H94F16Ir4N6O6-2 — CID 160691858

IUPAC2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(c2ccccc2)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)cc1.O=C([OH2+])c1ccccn1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H20N.C25H11F9N.C25H17F3N.C24H15F3N.C11H7FN.C6H5NO2.2C5H8O2.4Ir/c1-29(22-10-3-2-4-11-22)25-13-7-6-12-23(25)24-17-15-21(19-26(24)29)28-18-16-20-9-5-8-14-27(20)30-28;26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34;1-24(2)20-13-16(23-12-8-15-5-3-4-6-22(15)29-23)7-10-18(20)19-11-9-17(14-21(19)24)25(26,27)28;1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;1-4,6-12H;3-6,8-14H,1-2H3;2-9,11-14H,1H3;1-4,6-8H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;/q5*-1;;;;;;;/p+3
InChIKeyFXHMWGHHXICGAZ-UHFFFAOYSA-Q
MW2909.05 g/mol
LogP33.38
Rot. Bonds9

About 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (PubChem CID 160691858) has the molecular formula C130H94F16Ir4N6O6-2 and a molecular weight of 2909.05 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
PubChem CID160691858
Molecular FormulaC130H94F16Ir4N6O6-2
Molecular Weight2909.05 g/mol
Exact Mass2910.55
IUPAC Name2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(c2ccccc2)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)cc1.O=C([OH2+])c1ccccn1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H20N.C25H11F9N.C25H17F3N.C24H15F3N.C11H7FN.C6H5NO2.2C5H8O2.4Ir/c1-29(22-10-3-2-4-11-22)25-13-7-6-12-23(25)24-17-15-21(19-26(24)29)28-18-16-20-9-5-8-14-27(20)30-28;26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34;1-24(2)20-13-16(23-12-8-15-5-3-4-6-22(15)29-23)7-10-18(20)19-11-9-17(14-21(19)24)25(26,27)28;1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;1-4,6-12H;3-6,8-14H,1-2H3;2-9,11-14H,1H3;1-4,6-8H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;/q5*-1;;;;;;;/p+3
InChIKeyFXHMWGHHXICGAZ-UHFFFAOYSA-Q
XLogP33.38
TPSA200.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002909.05
LogP ≤ 533.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

Analyze 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline with MolForge

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Related Compounds

Bis(9-[2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole);iridium;pyridine-2-carboxylic acid
CID 59546729
iridium;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
CID 59859394
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;nonakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetradecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157083339
2-(3-ethylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(6-methoxy-3H-naphthalen-3-id-2-yl)quinoline;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]quinoline;pyridine-2-carboxylic acid;4-quinolin-2-ylbenzene-5-ide-1-carbonitrile
CID 157107775
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid
CID 157177589
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-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157213762
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;dysprosium;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(3H-naphthalen-3-id-2-yl)isoquinoline;1,10-phenanthroline;1-phenylisoquinoline;3-phenylisoquinoline;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 157243831
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
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
CID 157311917
CID 157311917

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The IUPAC name of 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (CID 160691858) is 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.
What is the SMILES notation for 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The canonical SMILES for 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2cc(-c3ccc4ccccc4n3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(c2ccccc2)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.Fc1c[c-]c(-c2ccccn2)cc1.O=C([OH2+])c1ccccn1.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The InChIKey is FXHMWGHHXICGAZ-UHFFFAOYSA-Q. The full InChI is InChI=1S/C29H20N.C25H11F9N.C25H17F3N.C24H15F3N.C11H7FN.C6H5NO2.2C5H8O2.4Ir/c1-29(22-10-3-2-4-11-22)25-13-7-6-12-23(25)24-17-15-21(19-26(24)29)28-18-16-20-9-5-8-14-27(20)30-28;26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34;1-24(2)20-13-16(23-12-8-15-5-3-4-6-22(15)29-23)7-10-18(20)19-11-9-17(14-21(19)24)25(26,27)28;1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2-14,16-19H,1H3;1-4,6-12H;3-6,8-14H,1-2H3;2-9,11-14H,1H3;1-4,6-8H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;/q5*-1;;;;;;;/p+3.
What are the key properties of 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline has a molecular weight of 2909.05 g/mol, XLogP of 33.38, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);2-(9-methyl-9-phenyl-3H-fluoren-3-id-2-yl)quinoline;2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;pyridine-2-carbonyloxidanium;2-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is sourced from PubChem (CID 160691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).