10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one

C79H56DyEuF6IrN6O6STb-2 — CID 157253916

IUPAC10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
SMILESCC(=O)C=C(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N.C13H8N.2C12H8N2.C10H7F3O2.C8H5F3O2S.C5H8O2.Dy.Eu.Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;/h1-9,11-13H;1-5,7-9H;2*1-8H;1-6,14H;1-4,12H;3,6H,1-2H3;;;;/q2*-1;;;;;;;;;
InChIKeyRXSUKXXIKDDVNN-UHFFFAOYSA-N
MW1997.01 g/mol
LogP20.14
Rot. Bonds6

About 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one

10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one (PubChem CID 157253916) has the molecular formula C79H56DyEuF6IrN6O6STb-2 and a molecular weight of 1997.01 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
PubChem CID157253916
Molecular FormulaC79H56DyEuF6IrN6O6STb-2
Molecular Weight1997.01 g/mol
Exact Mass1999.13
IUPAC Name10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
SMILESCC(=O)C=C(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N.C13H8N.2C12H8N2.C10H7F3O2.C8H5F3O2S.C5H8O2.Dy.Eu.Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;/h1-9,11-13H;1-5,7-9H;2*1-8H;1-6,14H;1-4,12H;3,6H,1-2H3;;;;/q2*-1;;;;;;;;;
InChIKeyRXSUKXXIKDDVNN-UHFFFAOYSA-N
XLogP20.14
TPSA189.24 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001997.01
LogP ≤ 520.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one with MolForge

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Related Compounds

Eu(TTA)3phen
CID 72479493
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 20606805
dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 59593858
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
1-[3-(4-Tert-butylphenyl)-5-[1-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]isoquinolin-2-ium-2-yl]benzene-6-id-1-yl]-3-[4-(4-tert-butylphenyl)-2-isoquinolin-1-ylphenyl]isoquinoline;europium;iridium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;1,10-phenanthroline;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 157420155
Carbanide;cerium;4,7-diphenyl-1,10-phenanthroline;europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);4-methyl-7-phenyl-1,10-phenanthroline;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 157448844
Carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 157454724
2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;dysprosium;europium;4-hydroxypent-3-en-2-one;bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);pyridine-2-carboxylic acid;terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 157757032
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;europium;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-(4-octylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylisoquinoline;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid;4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 157802332
Carbanide;cerium;2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine;4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-hydroxypent-3-en-2-one;bis(1,10-phenanthroline);terbium;tris(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 158002012
Tris(1-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]isoquinoline);europium;bis(iridium(3+));2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;1,10-phenanthroline;tris(1-phenylisoquinoline);platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 158011020
10H-benzo[h]quinolin-10-ide;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tris(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(1,10-phenanthroline);1-phenylisoquinoline;terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 158052159

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one (CID 157253916) is 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one is CC(=O)C=C(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?
The InChIKey is RXSUKXXIKDDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.C13H8N.2C12H8N2.C10H7F3O2.C8H5F3O2S.C5H8O2.Dy.Eu.Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;/h1-9,11-13H;1-5,7-9H;2*1-8H;1-6,14H;1-4,12H;3,6H,1-2H3;;;;/q2*-1;;;;;;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one?
10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one has a molecular weight of 1997.01 g/mol, XLogP of 20.14, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one is sourced from PubChem (CID 157253916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).