1H-Pyrrole-2,5-dione, 1-[4-[1-[4-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenoxy]phenyl]-1-(6-oxido-6H-dibenz[C,E][1,2]oxaphosphorin-6-yl)ethyl]phenyl]-

C₄₀H₂₇N₂O₇PCAS 1683589-55-0678.64 g/mol

Open in Covalent MOL file

Alkene Amide Ether Lactam

Properties

Molecular formula: C₄₀H₂₇N₂O₇P
Molar mass: 678.64 g/mol
Exact mass: 678.1556 Da
logP: 7.26Crippen estimate
Polar surface area: 110.3 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1683589-55-0

SMILES

CC(C1=CC=C(C=C1)N2C(=O)C=CC2=O)(C3=CC=C(C=C3)OC4=CC=C(C=C4)N5C(=O)C=CC5=O)P6(=O)C7=CC=CC=C7C8=CC=CC=C8O6

InChIKey

PDDWXUYQCFAWLU-UHFFFAOYSA-N

InChI

InChI=1S/C40H27N2O7P/c1-40(26-10-14-28(15-11-26)41-36(43)22-23-37(41)44,50(47)35-9-5-3-7-33(35)32-6-2-4-8-34(32)49-50)27-12-18-30(19-13-27)48-31-20-16-29(17-21-31)42-38(45)24-25-39(42)46/h2-25H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1H-Pyrrole-2,5-dione, 1-[4-[1-[4-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenoxy]phenyl]-1-(6-oxido-6H-dibenz[C,E][1,2]oxaphosphorin-6-yl)ethyl]phenyl]-

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bisphenol A diphenyl ether bismaleimide79922-55-754 % similar N-Phenylmaleimide941-69-537 % similar 1,4-Phenylenebismaleimide3278-31-736 % similar N-(4-Methylphenyl)maleimide1631-28-335 % similar N-(2-Methoxyphenyl)maleimide17392-68-634 % similar 1-(3-Methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione3007-23-633 % similar N-(4-Acetylphenyl)maleimide1082-85-533 % similar N-(4-Carboxyphenyl)maleimide17057-04-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook