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

C48H41EuF3O7P2 — CID 177065997

IUPACdiphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CCOc1cccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc12.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H17OP.C13H9F3O5.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;1-2-20-7-5-3-4-6-9(17)8(11(18)13(14,15)16)12(19)21-10(6)7;/h1-15H;3-14H,1H2,2H3;3-5,17H,2H2,1H3;/b;15-4+;;
InChIKeyMMIVBHKGLZFLHA-KJVCNEGOSA-N
MW1000.76 g/mol
LogP10.06
Rot. Bonds10

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

diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177065997) has the molecular formula C48H41EuF3O7P2 and a molecular weight of 1000.76 g/mol. Its IUPAC name is diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Namediphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177065997
Molecular FormulaC48H41EuF3O7P2
Molecular Weight1000.76 g/mol
Exact Mass1001.15
IUPAC Namediphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CCOc1cccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc12.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C18H15OP.C17H17OP.C13H9F3O5.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;1-2-20-7-5-3-4-6-9(17)8(11(18)13(14,15)16)12(19)21-10(6)7;/h1-15H;3-14H,1H2,2H3;3-5,17H,2H2,1H3;/b;15-4+;;
InChIKeyMMIVBHKGLZFLHA-KJVCNEGOSA-N
XLogP10.06
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.76
LogP ≤ 510.06
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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Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The IUPAC name of diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177065997) is diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The canonical SMILES for diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is C=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CCOc1cccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc12.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is MMIVBHKGLZFLHA-KJVCNEGOSA-N. The full InChI is InChI=1S/C18H15OP.C17H17OP.C13H9F3O5.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;1-2-20-7-5-3-4-6-9(17)8(11(18)13(14,15)16)12(19)21-10(6)7;/h1-15H;3-14H,1H2,2H3;3-5,17H,2H2,1H3;/b;15-4+;;.
What are the key properties of diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1000.76 g/mol, XLogP of 10.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177065997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).