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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

C118H92F4Ir4N4O4-4 — CID 159442010

IUPAC2-(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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.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.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C30H21FN.2C24H17FN.2C5H8O2.4Ir/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;1-24(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;2*1-4(6)3-5(2)7;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;
InChIKeyLSVKZDLFPSUXQV-UHFFFAOYSA-N
MW2474.92 g/mol
LogP29.99
Rot. Bonds8

About 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (PubChem CID 159442010) has the molecular formula C118H92F4Ir4N4O4-4 and a molecular weight of 2474.92 g/mol. Its IUPAC name is 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium).

Molecular Properties

Compound Name2-(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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
PubChem CID159442010
Molecular FormulaC118H92F4Ir4N4O4-4
Molecular Weight2474.92 g/mol
Exact Mass2476.56
IUPAC Name2-(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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.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.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C30H21FN.2C24H17FN.2C5H8O2.4Ir/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;1-24(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;2*1-4(6)3-5(2)7;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;
InChIKeyLSVKZDLFPSUXQV-UHFFFAOYSA-N
XLogP29.99
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002474.92
LogP ≤ 529.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4,6-diphenylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 162471382
2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 158512830
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-phenyl-6-[2-[3-(6-phenylhexyl)phenyl]phenyl]quinoline;(Z)-5-hydroxyhept-4-en-3-one;iridium
CID 162471357
(C,N-dimethylcarbonimidoyl)-methylazanide;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4,6-diphenylquinoline;iridium
CID 162471408
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylquinoline;2-phenyl-1H-naphthalen-1-ide;2-phenylpyridine
CID 160979873
4-hydroxypent-3-en-2-one;iridium;3-(4-phenylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 152910869
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-(2,4-dimethylphenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-(3-methylphenyl)-2-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine
CID 160614248
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-phenyl-1,3-benzothiazole
CID 161198840
bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);iridium(3+);pentane-2,4-dione
CID 172907496
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4,6-diphenylquinoline;iridium;phenyl-[(Z)-4-phenyliminopent-2-en-2-yl]azanide
CID 159163570
2-(2-fluorobenzene-6-id-1-yl)-4,6-diphenylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155620531
3-(3H-anthracen-3-id-2-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;4-hydroxypent-3-en-2-one;iridium
CID 160853516

Frequently Asked Questions

What is the IUPAC name of 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The IUPAC name of 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (CID 159442010) is 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium).
What is the SMILES notation for 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The canonical SMILES for 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.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.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The InChIKey is LSVKZDLFPSUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H21FN.2C24H17FN.2C5H8O2.4Ir/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;1-24(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;2*1-4(6)3-5(2)7;;;;/h3-14,16-18H,1-2H3;3-11,13-18H,1-2H3;3-10,12-14H,1-2H3;3-9,11-14H,1-2H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;.
What are the key properties of 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium) has a molecular weight of 2474.92 g/mol, XLogP of 29.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium) is sourced from PubChem (CID 159442010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).