diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

C51H40EuF3NO6P2S — CID 177066307

IUPACdiphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.O=C(c1c(O)c2cccc(Sc3cccnc3)c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H17OP.C16H8F3NO4S.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;17-16(18,19)14(22)11-12(21)9-4-1-5-10(13(9)24-15(11)23)25-8-3-2-6-20-7-8;/h1-15H;3-14H,1H2,2H3;1-7,21H;/b;15-4+;;
InChIKeyHLXCHQDTSLCYHG-KJVCNEGOSA-N
MW1065.86 g/mol
LogP11.21
Rot. Bonds10

About diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177066307) has the molecular formula C51H40EuF3NO6P2S and a molecular weight of 1065.86 g/mol. Its IUPAC name is diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177066307
Molecular FormulaC51H40EuF3NO6P2S
Molecular Weight1065.86 g/mol
Exact Mass1066.12
IUPAC Namediphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.O=C(c1c(O)c2cccc(Sc3cccnc3)c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H17OP.C16H8F3NO4S.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;17-16(18,19)14(22)11-12(21)9-4-1-5-10(13(9)24-15(11)23)25-8-3-2-6-20-7-8;/h1-15H;3-14H,1H2,2H3;1-7,21H;/b;15-4+;;
InChIKeyHLXCHQDTSLCYHG-KJVCNEGOSA-N
XLogP11.21
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.86
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177066408
bis(diphenylphosphorylbenzene);europium;4-hydroxy-8-phenoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066431
6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177066061
bis[(3E)-penta-1,3-dien-3-yl]phosphorylbenzene;diphenylphosphorylbenzene;europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-f]chromen-3-one
CID 177066006
1-dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[2,3-h]chromen-2-one;dihydrate
CID 177066364
2-phenyl-3-pyridin-3-ylsulfanylbenzoic acid
CID 23436356
4-hydroxy-7-(N-methylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299727
europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066602
8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
CID 54733251
diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
CID 177066165
diphenylphosphorylbenzene;europium;4-hydroxy-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 177066294

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The IUPAC name of diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177066307) is diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The canonical SMILES for diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is C=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.O=C(c1c(O)c2cccc(Sc3cccnc3)c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is HLXCHQDTSLCYHG-KJVCNEGOSA-N. The full InChI is InChI=1S/C18H15OP.C17H17OP.C16H8F3NO4S.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;17-16(18,19)14(22)11-12(21)9-4-1-5-10(13(9)24-15(11)23)25-8-3-2-6-20-7-8;/h1-15H;3-14H,1H2,2H3;1-7,21H;/b;15-4+;;.
What are the key properties of diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1065.86 g/mol, XLogP of 11.21, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene;europium;4-hydroxy-8-pyridin-3-ylsulfanyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177066307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).