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

C88H81Cl9Eu4F3N12O6Tb2- — CID 158236585

IUPACbis(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
SMILESC1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+3].[Eu].[Eu].[Tb+3].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.C10H9F3O2.2C10H12N2.2C5H8O2.9ClH.4Eu.2Tb/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h4*1-8H;3-4,14H,1-2H3;2*1-4,7-10H,5-6H2;2*3,6H,1-2H3;9*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;+2;+3;;+3/p-9
InChIKeyPFRPOQRECCNDTP-UHFFFAOYSA-E
MW2704.47 g/mol
LogP-7.43
Rot. Bonds5

About 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

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 (PubChem CID 158236585) has the molecular formula C88H81Cl9Eu4F3N12O6Tb2- and a molecular weight of 2704.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID158236585
Molecular FormulaC88H81Cl9Eu4F3N12O6Tb2-
Molecular Weight2704.47 g/mol
Exact Mass2702.89
IUPAC Namebis(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
SMILESC1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+3].[Eu].[Eu].[Tb+3].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.C10H9F3O2.2C10H12N2.2C5H8O2.9ClH.4Eu.2Tb/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h4*1-8H;3-4,14H,1-2H3;2*1-4,7-10H,5-6H2;2*3,6H,1-2H3;9*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;+2;+3;;+3/p-9
InChIKeyPFRPOQRECCNDTP-UHFFFAOYSA-E
XLogP-7.43
TPSA264.46 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002704.47
LogP ≤ 5-7.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815
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 157490248
CID 157490248
CID 157751590
CID 157751590
CID 157773674
CID 157773674

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+3].[Eu].[Eu].[Tb+3].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 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?
The InChIKey is PFRPOQRECCNDTP-UHFFFAOYSA-E. The full InChI is InChI=1S/4C12H8N2.C10H9F3O2.2C10H12N2.2C5H8O2.9ClH.4Eu.2Tb/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-4(6)3-5(2)7;;;;;;;;;;;;;;;/h4*1-8H;3-4,14H,1-2H3;2*1-4,7-10H,5-6H2;2*3,6H,1-2H3;9*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;+2;+3;;+3/p-9.
What are the key properties of 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?
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 has a molecular weight of 2704.47 g/mol, XLogP of -7.43, 5 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158236585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).