diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

C52H41EuF3O6P2 — CID 177065986

IUPACdiphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-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)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H9F3O4.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)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-8,21H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyIPBUTDASIVJOEL-RWXSGFKMSA-N
MW1032.80 g/mol
LogP11.33
Rot. Bonds9

About diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177065986) has the molecular formula C52H41EuF3O6P2 and a molecular weight of 1032.80 g/mol. Its IUPAC name is diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177065986
Molecular FormulaC52H41EuF3O6P2
Molecular Weight1032.80 g/mol
Exact Mass1033.15
IUPAC Namediphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-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)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H9F3O4.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)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-8,21H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyIPBUTDASIVJOEL-RWXSGFKMSA-N
XLogP11.33
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.80
LogP ≤ 511.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-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-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177065986) is diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-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-7-phenyl-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-7-phenyl-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)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is IPBUTDASIVJOEL-RWXSGFKMSA-N. The full InChI is InChI=1S/C18H15OP.C17H9F3O4.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)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h1-15H;1-8,21H;3-14H,1H2,2H3;/b;;15-4+;.
What are the key properties of diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1032.80 g/mol, XLogP of 11.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177065986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).