carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)

C119H75Eu6F24N11O12-2 — CID 160639190

IUPACcarbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESO=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C24H16N2.2C12H8N2.3C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;;/h2*1-16H;2*1-8H;3*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;
InChIKeyIISILIIHTKETNF-UHFFFAOYSA-N
MW3218.71 g/mol
LogP30.54
Rot. Bonds10

About carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)

carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (PubChem CID 160639190) has the molecular formula C119H75Eu6F24N11O12-2 and a molecular weight of 3218.71 g/mol. Its IUPAC name is carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).

Molecular Properties

Compound Namecarbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
PubChem CID160639190
Molecular FormulaC119H75Eu6F24N11O12-2
Molecular Weight3218.71 g/mol
Exact Mass3223.05
IUPAC Namecarbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESO=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C24H16N2.2C12H8N2.3C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;;/h2*1-16H;2*1-8H;3*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;
InChIKeyIISILIIHTKETNF-UHFFFAOYSA-N
XLogP30.54
TPSA365.59 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003218.71
LogP ≤ 530.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) with MolForge

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Related Compounds

1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
CID 157216134
CID 157216134
CID 157342959
CID 157342959
CID 157347418
CID 157347418
2-Acetyl-3-hydroxycyclohex-2-en-1-one;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;6-phenylphenanthridine;2-phenyl-3-phenylquinoxaline;platinum
CID 157373570
Carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(1,10-phenanthroline);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 157396727
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
CID 157751590
CID 157751590
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

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The IUPAC name of carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (CID 160639190) is carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).
What is the SMILES notation for carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The canonical SMILES for carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cc(F)cc(F)c1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.O=C(c1cnccc1O)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The InChIKey is IISILIIHTKETNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.2C12H8N2.3C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13;3*8-7(9,10)6(13)4-3-11-2-1-5(4)12;;;;;;;;/h2*1-16H;2*1-8H;3*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;.
What are the key properties of carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) has a molecular weight of 3218.71 g/mol, XLogP of 30.54, 10 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is sourced from PubChem (CID 160639190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).