diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

C55H47EuF3O6P2 — CID 177066056

IUPACdiphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(-c2ccc3c(O)c(C(=O)C(F)(F)F)c(=O)oc3c2)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C20H15F3O4.C18H15OP.C17H17OP.Eu/c1-9-6-10(2)15(11(3)7-9)12-4-5-13-14(8-12)27-19(26)16(17(13)24)18(25)20(21,22)23;19-20(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;/h4-8,24H,1-3H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyGAMDYKLXKFUZPA-RWXSGFKMSA-N
MW1074.88 g/mol
LogP12.25
Rot. Bonds9

About diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177066056) has the molecular formula C55H47EuF3O6P2 and a molecular weight of 1074.88 g/mol. Its IUPAC name is diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177066056
Molecular FormulaC55H47EuF3O6P2
Molecular Weight1074.88 g/mol
Exact Mass1075.20
IUPAC Namediphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(-c2ccc3c(O)c(C(=O)C(F)(F)F)c(=O)oc3c2)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C20H15F3O4.C18H15OP.C17H17OP.Eu/c1-9-6-10(2)15(11(3)7-9)12-4-5-13-14(8-12)27-19(26)16(17(13)24)18(25)20(21,22)23;19-20(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;/h4-8,24H,1-3H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyGAMDYKLXKFUZPA-RWXSGFKMSA-N
XLogP12.25
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.88
LogP ≤ 512.25
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-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)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)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177066056) is diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)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)-7-(2,4,6-trimethylphenyl)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)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is C=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.Cc1cc(C)c(-c2ccc3c(O)c(C(=O)C(F)(F)F)c(=O)oc3c2)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is GAMDYKLXKFUZPA-RWXSGFKMSA-N. The full InChI is InChI=1S/C20H15F3O4.C18H15OP.C17H17OP.Eu/c1-9-6-10(2)15(11(3)7-9)12-4-5-13-14(8-12)27-19(26)16(17(13)24)18(25)20(21,22)23;19-20(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;/h4-8,24H,1-3H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;.
What are the key properties of diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1074.88 g/mol, XLogP of 12.25, 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-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177066056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).