1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline

C103H51F27Ir4N4-4 — CID 160791149

IUPAC1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline
SMILESCC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3nccc4ccccc34)[c-]cc1-2.Fc1c(F)c(F)c2c(c1F)-c1c[c-]c(-c3nccc4ccccc34)cc1C2(c1ccccc1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H13F7N.C25H11F9N.C25H14F6N.C24H13F5N.4Ir/c30-23-21-19-11-10-16(27-18-9-5-4-6-15(18)12-13-37-27)14-20(19)28(29(34,35)36,17-7-2-1-3-8-17)22(21)24(31)26(33)25(23)32;26-23(27,28)15-6-8-18-17-7-5-14(21-16-4-2-1-3-13(16)9-10-35-21)11-19(17)22(20(18)12-15,24(29,30)31)25(32,33)34;1-23(25(29,30)31)20-12-15(22-17-5-3-2-4-14(17)10-11-32-22)6-8-18(20)19-9-7-16(13-21(19)23)24(26,27)28;1-23(24(27,28)29)19-10-14(22-16-5-3-2-4-13(16)8-9-30-22)6-7-17(19)18-11-15(25)12-20(26)21(18)23;;;;/h1-9,11-14H;1-4,6-12H;2-5,7-13H,1H3;2-5,7-12H,1H3;;;;/q4*-1;;;;
InChIKeyIUDFGDNKNMISQY-UHFFFAOYSA-N
MW2626.38 g/mol
LogP30.64
Rot. Bonds5

About 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline

1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline (PubChem CID 160791149) has the molecular formula C103H51F27Ir4N4-4 and a molecular weight of 2626.38 g/mol. Its IUPAC name is 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline.

Molecular Properties

Compound Name1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline
PubChem CID160791149
Molecular FormulaC103H51F27Ir4N4-4
Molecular Weight2626.38 g/mol
Exact Mass2628.22
IUPAC Name1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline
SMILESCC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3nccc4ccccc34)[c-]cc1-2.Fc1c(F)c(F)c2c(c1F)-c1c[c-]c(-c3nccc4ccccc34)cc1C2(c1ccccc1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H13F7N.C25H11F9N.C25H14F6N.C24H13F5N.4Ir/c30-23-21-19-11-10-16(27-18-9-5-4-6-15(18)12-13-37-27)14-20(19)28(29(34,35)36,17-7-2-1-3-8-17)22(21)24(31)26(33)25(23)32;26-23(27,28)15-6-8-18-17-7-5-14(21-16-4-2-1-3-13(16)9-10-35-21)11-19(17)22(20(18)12-15,24(29,30)31)25(32,33)34;1-23(25(29,30)31)20-12-15(22-17-5-3-2-4-14(17)10-11-32-22)6-8-18(20)19-9-7-16(13-21(19)23)24(26,27)28;1-23(24(27,28)29)19-10-14(22-16-5-3-2-4-13(16)8-9-30-22)6-7-17(19)18-11-15(25)12-20(26)21(18)23;;;;/h1-9,11-14H;1-4,6-12H;2-5,7-13H,1H3;2-5,7-12H,1H3;;;;/q4*-1;;;;
InChIKeyIUDFGDNKNMISQY-UHFFFAOYSA-N
XLogP30.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002626.38
LogP ≤ 530.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline with MolForge

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Related Compounds

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[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
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Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
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Nickel(2+);bis(pentane);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide)
CID 168341947
Bis(1-[3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]benzene-6-id-1-yl]isoquinoline);iridium(3+);1-(3-methylbenzene-6-id-1-yl)isoquinoline
CID 58233432
2-(2',7'-diphenylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793047
2-(2',7'-dinaphthalen-1-ylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793155
Iridium(3+);bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58983572
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
9-[6-(3,6-Difluorocarbazol-9-yl)-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357213

Frequently Asked Questions

What is the IUPAC name of 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline?
The IUPAC name of 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline (CID 160791149) is 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline.
What is the SMILES notation for 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline?
The canonical SMILES for 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline is CC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2cc(-c3nccc4ccccc34)[c-]cc2-c2ccc(C(F)(F)F)cc21.FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3nccc4ccccc34)[c-]cc1-2.Fc1c(F)c(F)c2c(c1F)-c1c[c-]c(-c3nccc4ccccc34)cc1C2(c1ccccc1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline?
The InChIKey is IUDFGDNKNMISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H13F7N.C25H11F9N.C25H14F6N.C24H13F5N.4Ir/c30-23-21-19-11-10-16(27-18-9-5-4-6-15(18)12-13-37-27)14-20(19)28(29(34,35)36,17-7-2-1-3-8-17)22(21)24(31)26(33)25(23)32;26-23(27,28)15-6-8-18-17-7-5-14(21-16-4-2-1-3-13(16)9-10-35-21)11-19(17)22(20(18)12-15,24(29,30)31)25(32,33)34;1-23(25(29,30)31)20-12-15(22-17-5-3-2-4-14(17)10-11-32-22)6-8-18(20)19-9-7-16(13-21(19)23)24(26,27)28;1-23(24(27,28)29)19-10-14(22-16-5-3-2-4-13(16)8-9-30-22)6-7-17(19)18-11-15(25)12-20(26)21(18)23;;;;/h1-9,11-14H;1-4,6-12H;2-5,7-13H,1H3;2-5,7-12H,1H3;;;;/q4*-1;;;;.
What are the key properties of 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline?
1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline has a molecular weight of 2626.38 g/mol, XLogP of 30.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;tetrakis(iridium);1-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[5,6,7,8-tetrafluoro-9-phenyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;1-[7,9,9-tris(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline is sourced from PubChem (CID 160791149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).