carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone

C98H72Eu4F12N4O8-2 — CID 158217641

IUPACcarbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C24H16N2.3C16H11F3O2.C12H9F3O2.C12H8N2.2CH3.4Eu/c1-3-7-17(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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;/h1-16H;3*1-4,7-8,20H,5-6H2;1-4,16H,5-6H2;1-8H;2*1H3;;;;/q;;;;;;2*-1;;;;
InChIKeyRJTWICUBLRPLDE-UHFFFAOYSA-N
MW2269.51 g/mol
LogP25.39
Rot. Bonds6

About carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone

carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone (PubChem CID 158217641) has the molecular formula C98H72Eu4F12N4O8-2 and a molecular weight of 2269.51 g/mol. Its IUPAC name is carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Namecarbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
PubChem CID158217641
Molecular FormulaC98H72Eu4F12N4O8-2
Molecular Weight2269.51 g/mol
Exact Mass2272.20
IUPAC Namecarbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C24H16N2.3C16H11F3O2.C12H9F3O2.C12H8N2.2CH3.4Eu/c1-3-7-17(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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;/h1-16H;3*1-4,7-8,20H,5-6H2;1-4,16H,5-6H2;1-8H;2*1H3;;;;/q;;;;;;2*-1;;;;
InChIKeyRJTWICUBLRPLDE-UHFFFAOYSA-N
XLogP25.39
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.51
LogP ≤ 525.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone with MolForge

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Related Compounds

bis(europium(3+));bis(1,10-phenanthroline);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139137386
bis(1,10-phenanthroline);bis(terbium(3+));pentakis((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate);(Z)-6,6,6-trifluoro-2,2-dimethyl-5-oxohex-3-en-3-olate
CID 139144078
bis(neodymium(3+));hexakis((Z)-4,4,5,5,5-pentafluoro-1-naphthalen-2-yl-1-oxopent-2-en-3-olate);bis(1,10-phenanthroline)
CID 139149220
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606763
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606786
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787
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-(1-hydroxyanthracen-2-yl)ethanone
CID 20798406
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798408

Frequently Asked Questions

What is the IUPAC name of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?
The IUPAC name of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone (CID 158217641) is carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone.
What is the SMILES notation for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?
The canonical SMILES for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone is O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.O=C(C1=C(O)c2ccccc2CC1)C(F)(F)F.[CH3-].[CH3-].[Eu].[Eu].[Eu].[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?
The InChIKey is RJTWICUBLRPLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.3C16H11F3O2.C12H9F3O2.C12H8N2.2CH3.4Eu/c1-3-7-17(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;3*17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;13-12(14,15)11(17)9-6-5-7-3-1-2-4-8(7)10(9)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;/h1-16H;3*1-4,7-8,20H,5-6H2;1-4,16H,5-6H2;1-8H;2*1H3;;;;/q;;;;;;2*-1;;;;.
What are the key properties of carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone?
carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone has a molecular weight of 2269.51 g/mol, XLogP of 25.39, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 158217641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).