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

C52H39EuF3O7P2 — CID 177066391

IUPACdiphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]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)c2ccc3oc4ccccc4c3c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H7F3O5.C17H17OP.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,20)15(22)12-13(21)8-5-6-10-11(14(8)25-16(12)23)7-3-1-2-4-9(7)24-10;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-6,21H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyRECAEHYADZBWHV-RWXSGFKMSA-N
MW1046.78 g/mol
LogP11.56
Rot. Bonds8

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

diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177066391) has the molecular formula C52H39EuF3O7P2 and a molecular weight of 1046.78 g/mol. Its IUPAC name is diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177066391
Molecular FormulaC52H39EuF3O7P2
Molecular Weight1046.78 g/mol
Exact Mass1047.13
IUPAC Namediphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]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)c2ccc3oc4ccccc4c3c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H7F3O5.C17H17OP.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,20)15(22)12-13(21)8-5-6-10-11(14(8)25-16(12)23)7-3-1-2-4-9(7)24-10;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-6,21H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyRECAEHYADZBWHV-RWXSGFKMSA-N
XLogP11.56
TPSA114.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.78
LogP ≤ 511.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
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
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
bis(diphenylphosphorylbenzene);europium;4-hydroxy-8-phenoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066431
1-dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013
bis(diphenylphosphorylbenzene);europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(3,4,5-trifluoro-N-(3,4,5-trifluorophenyl)anilino)chromen-2-one
CID 177066285
7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium
CID 177066659
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[2,3-h]chromen-2-one;dihydrate
CID 177066364
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
4-hydroxy-6-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299735

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The IUPAC name of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177066391) is diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The canonical SMILES for diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]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)c2ccc3oc4ccccc4c3c2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is RECAEHYADZBWHV-RWXSGFKMSA-N. The full InChI is InChI=1S/C18H15OP.C17H7F3O5.C17H17OP.Eu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,20)15(22)12-13(21)8-5-6-10-11(14(8)25-16(12)23)7-3-1-2-4-9(7)24-10;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-6,21H;3-14H,1H2,2H3;/b;;15-4+;.
What are the key properties of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1046.78 g/mol, XLogP of 11.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzofuro[2,3-h]chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177066391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).