2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine

C225H194F6Ir7N8O10-8 — CID 158661258

IUPAC2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine
SMILESCC(=O)C(C)=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCC(C(C)=O)=C(C)O.CCC1(CC)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H22N.6C24H18N.C15H12O2.C11H8N.C11H20O2.C7H12O2.C6H10O2.C5H2F6O2.7Ir/c1-3-26(4-2)22-11-7-6-10-20(22)21-15-13-19(17-23(21)26)25-16-14-18-9-5-8-12-24(18)27-25;6*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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4-7(5(2)8)6(3)9;1-4(5(2)7)6(3)8;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h5-12,14-17H,3-4H2,1-2H3;6*3-10,12-15H,1-2H3;1-11,16H;1-6,8-9H;7,12H,1-6H3;8H,4H2,1-3H3;7H,1-3H3;1,12H;;;;;;;/q7*-1;;-1;;;;;;;;;;;
InChIKeyBAMGCSVDFKKJJH-UHFFFAOYSA-N
MW4629.58 g/mol
LogP57.29
Rot. Bonds18

About 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine

2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine (PubChem CID 158661258) has the molecular formula C225H194F6Ir7N8O10-8 and a molecular weight of 4629.58 g/mol. Its IUPAC name is 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine.

Molecular Properties

Compound Name2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine
PubChem CID158661258
Molecular FormulaC225H194F6Ir7N8O10-8
Molecular Weight4629.58 g/mol
Exact Mass4632.23
IUPAC Name2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine
SMILESCC(=O)C(C)=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCC(C(C)=O)=C(C)O.CCC1(CC)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H22N.6C24H18N.C15H12O2.C11H8N.C11H20O2.C7H12O2.C6H10O2.C5H2F6O2.7Ir/c1-3-26(4-2)22-11-7-6-10-20(22)21-15-13-19(17-23(21)26)25-16-14-18-9-5-8-12-24(18)27-25;6*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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4-7(5(2)8)6(3)9;1-4(5(2)7)6(3)8;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h5-12,14-17H,3-4H2,1-2H3;6*3-10,12-15H,1-2H3;1-11,16H;1-6,8-9H;7,12H,1-6H3;8H,4H2,1-3H3;7H,1-3H3;1,12H;;;;;;;/q7*-1;;-1;;;;;;;;;;;
InChIKeyBAMGCSVDFKKJJH-UHFFFAOYSA-N
XLogP57.29
TPSA289.62 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004629.58
LogP ≤ 557.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine?
The IUPAC name of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine (CID 158661258) is 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine.
What is the SMILES notation for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine?
The canonical SMILES for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine is CC(=O)C(C)=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CCC(C(C)=O)=C(C)O.CCC1(CC)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine?
The InChIKey is BAMGCSVDFKKJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N.6C24H18N.C15H12O2.C11H8N.C11H20O2.C7H12O2.C6H10O2.C5H2F6O2.7Ir/c1-3-26(4-2)22-11-7-6-10-20(22)21-15-13-19(17-23(21)26)25-16-14-18-9-5-8-12-24(18)27-25;6*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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4-7(5(2)8)6(3)9;1-4(5(2)7)6(3)8;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h5-12,14-17H,3-4H2,1-2H3;6*3-10,12-15H,1-2H3;1-11,16H;1-6,8-9H;7,12H,1-6H3;8H,4H2,1-3H3;7H,1-3H3;1,12H;;;;;;;/q7*-1;;-1;;;;;;;;;;;.
What are the key properties of 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine?
2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine has a molecular weight of 4629.58 g/mol, XLogP of 57.29, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(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;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);2-phenylpyridine is sourced from PubChem (CID 158661258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).