7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium

C59H40EuF7NO6P2 — CID 177066659

IUPAC7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium
SMILESO=C(c1c(O)c2ccc(N(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C23H10F7NO4.2C18H15OP.Eu/c24-10-3-11(25)6-15(5-10)31(16-7-12(26)4-13(27)8-16)14-1-2-17-18(9-14)35-22(34)19(20(17)32)21(33)23(28,29)30;2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-9,32H;2*1-15H;
InChIKeyWKXRKKOROBTIIB-UHFFFAOYSA-N
MW1205.87 g/mol
LogP12.92
Rot. Bonds10

About 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium

7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium (PubChem CID 177066659) has the molecular formula C59H40EuF7NO6P2 and a molecular weight of 1205.87 g/mol. Its IUPAC name is 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium.

Molecular Properties

Compound Name7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium
PubChem CID177066659
Molecular FormulaC59H40EuF7NO6P2
Molecular Weight1205.87 g/mol
Exact Mass1206.14
IUPAC Name7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium
SMILESO=C(c1c(O)c2ccc(N(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C23H10F7NO4.2C18H15OP.Eu/c24-10-3-11(25)6-15(5-10)31(16-7-12(26)4-13(27)8-16)14-1-2-17-18(9-14)35-22(34)19(20(17)32)21(33)23(28,29)30;2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-9,32H;2*1-15H;
InChIKeyWKXRKKOROBTIIB-UHFFFAOYSA-N
XLogP12.92
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.87
LogP ≤ 512.92
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'}

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Related Compounds

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
europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066602
7-[N-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)anilino]-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299945
4-hydroxy-7-(N-methylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299727
4-(4-cyano-N-[4-hydroxy-2-oxo-3-(2,2,2-trifluoroacetyl)chromen-7-yl]anilino)benzonitrile
CID 167299982
bis(diphenylphosphorylbenzene);europium;4-hydroxy-8-phenoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066431
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
europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066413
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
4-chloro-7-(dimethylamino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 123294448
1-dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013
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

Frequently Asked Questions

What is the IUPAC name of 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium?
The IUPAC name of 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium (CID 177066659) is 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium.
What is the SMILES notation for 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium?
The canonical SMILES for 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium is O=C(c1c(O)c2ccc(N(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)cc2oc1=O)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium?
The InChIKey is WKXRKKOROBTIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H10F7NO4.2C18H15OP.Eu/c24-10-3-11(25)6-15(5-10)31(16-7-12(26)4-13(27)8-16)14-1-2-17-18(9-14)35-22(34)19(20(17)32)21(33)23(28,29)30;2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-9,32H;2*1-15H;.
What are the key properties of 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium?
7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium has a molecular weight of 1205.87 g/mol, XLogP of 12.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium is sourced from PubChem (CID 177066659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).