1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

C38H33EuF3NO4P — CID 177066358

IUPAC1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccccc1P(=O)(c1ccccc1C)c1ccccc1C.[Eu]
InChIInChI=1S/C21H21OP.C17H12F3NO3.Eu/c1-16-10-4-7-13-19(16)23(22,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;/h4-15H,1-3H3;3-8,22H,2H2,1H3;
InChIKeyCRUUTCWUNSNQEL-UHFFFAOYSA-N
MW807.62 g/mol
LogP7.88
Rot. Bonds5

About 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (PubChem CID 177066358) has the molecular formula C38H33EuF3NO4P and a molecular weight of 807.62 g/mol. Its IUPAC name is 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.

Molecular Properties

Compound Name1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
PubChem CID177066358
Molecular FormulaC38H33EuF3NO4P
Molecular Weight807.62 g/mol
Exact Mass808.13
IUPAC Name1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccccc1P(=O)(c1ccccc1C)c1ccccc1C.[Eu]
InChIInChI=1S/C21H21OP.C17H12F3NO3.Eu/c1-16-10-4-7-13-19(16)23(22,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;/h4-15H,1-3H3;3-8,22H,2H2,1H3;
InChIKeyCRUUTCWUNSNQEL-UHFFFAOYSA-N
XLogP7.88
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.62
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
CID 177066425
4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
CID 177066142
4-hydroxy-1-phenyl-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
CID 166465000
1-dibutylphosphorylbutane;4-ethyl-1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;europium;hydrate
CID 177066341
4-hydroxy-3-(2,2,2-trifluoroacetyl)-1-[4-(trifluoromethyl)phenyl]benzo[h]quinolin-2-one
CID 166464996
diphenylphosphorylbenzene;europium;3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-4-hydroxy-1-phenylbenzo[h]quinolin-2-one
CID 177066162
diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
CID 177066165
4-hydroxy-1-methyl-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 166464994
1-dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013
diphenylphosphorylbenzene;europium;4-hydroxy-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 177066294
gadolinium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;dihydrate
CID 177066561
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The IUPAC name of 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (CID 177066358) is 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.
What is the SMILES notation for 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The canonical SMILES for 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is CCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccccc1P(=O)(c1ccccc1C)c1ccccc1C.[Eu].
What is the InChIKey of 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The InChIKey is CRUUTCWUNSNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21OP.C17H12F3NO3.Eu/c1-16-10-4-7-13-19(16)23(22,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;/h4-15H,1-3H3;3-8,22H,2H2,1H3;.
What are the key properties of 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium has a molecular weight of 807.62 g/mol, XLogP of 7.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is sourced from PubChem (CID 177066358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).