2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)

C197H164F4Ir6N7O7-7 — CID 157469323

IUPAC2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(C(=O)c2ccc(-c3[c-]cccc3)nc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4cc(F)ccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(F)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C30H21FN.C28H26N.2C24H17FN.C24H18N.C22H20NO.3C5H8O2.6Ir/c1-30(2)24-12-7-6-11-21(24)22-16-15-20(17-25(22)30)28-18-23(19-9-4-3-5-10-19)29-26(31)13-8-14-27(29)32-28;1-30(2)26-11-7-6-10-22(26)23-14-12-20(16-27(23)30)29-18-24(19-8-4-3-5-9-19)25-17-21(31)13-15-28(25)32-29;1-27(2,3)20-12-14-22-21-13-10-19(16-23(21)28(4,5)24(22)17-20)26-15-11-18-8-6-7-9-25(18)29-26;1-24(2)19-9-5-3-7-16(19)17-12-11-15(13-20(17)24)23-14-21(25)18-8-4-6-10-22(18)26-23;1-24(2)19-7-4-3-6-16(19)17-11-10-15(14-20(17)24)22-13-12-18-21(25)8-5-9-23(18)26-22;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;1-22(2,3)19-12-9-17(10-13-19)21(24)18-11-14-20(23-15-18)16-7-5-4-6-8-16;3*1-4(6)3-5(2)7;;;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;6-9,11-17H,1-5H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-15H,1-2H3;4-7,9-15H,1-3H3;3*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;
InChIKeyLZUBXJIMHIYUSB-UHFFFAOYSA-N
MW3970.81 g/mol
LogP49.41
Rot. Bonds14

About 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)

2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) (PubChem CID 157469323) has the molecular formula C197H164F4Ir6N7O7-7 and a molecular weight of 3970.81 g/mol. Its IUPAC name is 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium).

Molecular Properties

Compound Name2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)
PubChem CID157469323
Molecular FormulaC197H164F4Ir6N7O7-7
Molecular Weight3970.81 g/mol
Exact Mass3973.04
IUPAC Name2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(C(=O)c2ccc(-c3[c-]cccc3)nc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4cc(F)ccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(F)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C30H21FN.C28H26N.2C24H17FN.C24H18N.C22H20NO.3C5H8O2.6Ir/c1-30(2)24-12-7-6-11-21(24)22-16-15-20(17-25(22)30)28-18-23(19-9-4-3-5-10-19)29-26(31)13-8-14-27(29)32-28;1-30(2)26-11-7-6-10-22(26)23-14-12-20(16-27(23)30)29-18-24(19-8-4-3-5-9-19)25-17-21(31)13-15-28(25)32-29;1-27(2,3)20-12-14-22-21-13-10-19(16-23(21)28(4,5)24(22)17-20)26-15-11-18-8-6-7-9-25(18)29-26;1-24(2)19-9-5-3-7-16(19)17-12-11-15(13-20(17)24)23-14-21(25)18-8-4-6-10-22(18)26-23;1-24(2)19-7-4-3-6-16(19)17-11-10-15(14-20(17)24)22-13-12-18-21(25)8-5-9-23(18)26-22;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;1-22(2,3)19-12-9-17(10-13-19)21(24)18-11-14-20(23-15-18)16-7-5-4-6-8-16;3*1-4(6)3-5(2)7;;;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;6-9,11-17H,1-5H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-15H,1-2H3;4-7,9-15H,1-3H3;3*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;
InChIKeyLZUBXJIMHIYUSB-UHFFFAOYSA-N
XLogP49.41
TPSA219.20 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003970.81
LogP ≤ 549.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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'}

Analyze 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) with MolForge

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Launch Full Analysis

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
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
Tris(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;tris(iridium)
CID 157214989
[1-(3-Tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane
CID 157244891
6-Cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;6-cyclopentyl-3,4-dideuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]isoquinoline;3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;3,7-diethyl-9-fluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(iridium)
CID 157283003
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
2,2-difluoropropanoic acid;(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;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157306452
3,7-Diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-8-fluorobenzo[f]isoquinoline;tris(4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-9-(trifluoromethyl)benzo[f]isoquinoline);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;tetrakis(iridium)
CID 157344133
Bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(2,7-dimethyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;bis(3-methyl-2-(2-pyridin-3-ylbenzene-6-id-1-yl)pyridine);bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);bis(2-phenyl-3-(2,4,6-trimethylphenyl)pyridine);platinum;hexakis(platinum(2+));bis(9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 157352697
6-Cyclohexyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclohexyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(cyclopentylmethyl)-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-(cyclopentylmethyl)-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;tetrakis(3,7-diethyl-9,9-difluoro-6-hydroxydec-5-en-4-one);tetrakis(iridium);methane
CID 157451189
Bis(6-cyclohexyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-7-methylisoquinoline);bis(6-cyclopentyl-3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-7-methylisoquinoline);bis(3,4-dideuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-6-propan-2-ylisoquinoline);tris(3,7-diethyl-9,9-difluoro-6-hydroxydec-5-en-4-one);tris(iridium);methane
CID 157567990

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The IUPAC name of 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) (CID 157469323) is 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium).
What is the SMILES notation for 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The canonical SMILES for 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(C(=O)c2ccc(-c3[c-]cccc3)nc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(-c4ccccc4)c4cc(F)ccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc(F)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4c(F)cccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The InChIKey is LZUBXJIMHIYUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H21FN.C28H26N.2C24H17FN.C24H18N.C22H20NO.3C5H8O2.6Ir/c1-30(2)24-12-7-6-11-21(24)22-16-15-20(17-25(22)30)28-18-23(19-9-4-3-5-10-19)29-26(31)13-8-14-27(29)32-28;1-30(2)26-11-7-6-10-22(26)23-14-12-20(16-27(23)30)29-18-24(19-8-4-3-5-9-19)25-17-21(31)13-15-28(25)32-29;1-27(2,3)20-12-14-22-21-13-10-19(16-23(21)28(4,5)24(22)17-20)26-15-11-18-8-6-7-9-25(18)29-26;1-24(2)19-9-5-3-7-16(19)17-12-11-15(13-20(17)24)23-14-21(25)18-8-4-6-10-22(18)26-23;1-24(2)19-7-4-3-6-16(19)17-11-10-15(14-20(17)24)22-13-12-18-21(25)8-5-9-23(18)26-22;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;1-22(2,3)19-12-9-17(10-13-19)21(24)18-11-14-20(23-15-18)16-7-5-4-6-8-16;3*1-4(6)3-5(2)7;;;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;6-9,11-17H,1-5H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-15H,1-2H3;4-7,9-15H,1-3H3;3*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;.
What are the key properties of 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium)?
2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) has a molecular weight of 3970.81 g/mol, XLogP of 49.41, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;(4-tert-butylphenyl)-(6-phenyl-3-pyridinyl)methanone;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-6-fluoro-4-phenylquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-5-fluoroquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);hexakis(iridium) is sourced from PubChem (CID 157469323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).