bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one

C52H37EuF5O6P2 — CID 177066009

IUPACbis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one
SMILESO=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/2C18H15OP.C16H7F5O4.Eu/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,16(19,20)21)13(23)11-12(22)10-8-4-2-1-3-7(8)5-6-9(10)25-14(11)24;/h2*1-15H;1-6,22H;
InChIKeyBPNORXBFCZTGTB-UHFFFAOYSA-N
MW1066.76 g/mol
LogP10.68
Rot. Bonds8

About bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one

bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one (PubChem CID 177066009) has the molecular formula C52H37EuF5O6P2 and a molecular weight of 1066.76 g/mol. Its IUPAC name is bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one.

Molecular Properties

Compound Namebis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one
PubChem CID177066009
Molecular FormulaC52H37EuF5O6P2
Molecular Weight1066.76 g/mol
Exact Mass1067.12
IUPAC Namebis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one
SMILESO=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/2C18H15OP.C16H7F5O4.Eu/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,16(19,20)21)13(23)11-12(22)10-8-4-2-1-3-7(8)5-6-9(10)25-14(11)24;/h2*1-15H;1-6,22H;
InChIKeyBPNORXBFCZTGTB-UHFFFAOYSA-N
XLogP10.68
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.76
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one?
The IUPAC name of bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one (CID 177066009) is bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one.
What is the SMILES notation for bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one?
The canonical SMILES for bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one is O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)C(F)(F)F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one?
The InChIKey is BPNORXBFCZTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15OP.C16H7F5O4.Eu/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,16(19,20)21)13(23)11-12(22)10-8-4-2-1-3-7(8)5-6-9(10)25-14(11)24;/h2*1-15H;1-6,22H;.
What are the key properties of bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one?
bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one has a molecular weight of 1066.76 g/mol, XLogP of 10.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one is sourced from PubChem (CID 177066009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).