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

C124H84Eu6F19N11O12S-2 — CID 159197921

IUPACcarbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.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.C13H12O2S.2C12H8N2.2C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/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;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*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;3-7,14H,1-2H3;2*1-8H;2*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;
InChIKeyPVOIYZSEZRTRKG-UHFFFAOYSA-N
MW3224.91 g/mol
LogP31.43
Rot. Bonds11

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

carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (PubChem CID 159197921) has the molecular formula C124H84Eu6F19N11O12S-2 and a molecular weight of 3224.91 g/mol. Its IUPAC name is carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).

Molecular Properties

Compound Namecarbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
PubChem CID159197921
Molecular FormulaC124H84Eu6F19N11O12S-2
Molecular Weight3224.91 g/mol
Exact Mass3229.10
IUPAC Namecarbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.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.C13H12O2S.2C12H8N2.2C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/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;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*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;3-7,14H,1-2H3;2*1-8H;2*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;
InChIKeyPVOIYZSEZRTRKG-UHFFFAOYSA-N
XLogP31.43
TPSA365.59 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003224.91
LogP ≤ 531.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

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Related Compounds

5-[7-(3-Carboxy-4-hydroxyphenyl)-1,10-phenanthrolin-4-yl]-2-hydroxybenzoic acid;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 136154375
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
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
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
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
Bis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(4-hydroxypent-3-en-2-one);tetrakis(1,10-phenanthroline);terbium;terbium(3+);2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone;octachloride
CID 158091768
Bis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(4-hydroxypent-3-en-2-one);tetrakis(1,10-phenanthroline);terbium;terbium(3+);2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone;nonachloride
CID 158236585
Europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium
CID 158277623
6-(3,5-Difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 158278170
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;tris(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 159289409

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The IUPAC name of carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) (CID 159197921) is carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone).
What is the SMILES notation for carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The canonical SMILES for carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.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;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
The InChIKey is PVOIYZSEZRTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C13H12O2S.2C12H8N2.2C8H3F5O2.3C7H4F3NO2.2CH3.6Eu/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;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*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;3-7,14H,1-2H3;2*1-8H;2*1-2,14H;3*1-3H,(H,11,12);2*1H3;;;;;;/q;;;;;;;;;;2*-1;;;;;;.
What are the key properties of carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)?
carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) has a molecular weight of 3224.91 g/mol, XLogP of 31.43, 11 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone) is sourced from PubChem (CID 159197921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).