TETRAKIS(2,4-DI-TERT-BUTYL-5-METHYLPHENYL) [1,1'-BIPHENYL]-2,3-DIYLBIS(PHOSPHONITE)

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID90627482

Structure

InChI Key XMKVUPOWKZQBDQ-UHFFFAOYSA-N
Smiles CC1=CC(OP(OC2=C(C=C(C(C)=C2)C(C)(C)C)C(C)(C)C)C2=CC=CC(C3=CC=CC=C3)=C2P(OC2=C(C=C(C(C)=C2)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C(C)=C2)C(C)(C)C)C(C)(C)C)=C(C=C1C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C72H100O4P2/c1-45-37-59(55(69(17,18)19)41-51(45)65(5,6)7)73-77(74-60-38-46(2)52(66(8,9)10)42-56(60)70(20,21)22)63-36-32-35-50(49-33-30-29-31-34-49)64(63)78(75-61-39-47(3)53(67(11,12)13)43-57(61)71(23,24)25)76-62-40-48(4)54(68(14,15)16)44-58(62)72(26,27)28/h29-44H,1-28H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C72H100O4P2
Molecular Weight 1090.71
AlogP 21.16
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 36.92
Heavy Atoms 78.0

Cross References

Resources Reference
CAS NUMBER 178358-58-2
NORMAN SUSDAT
PubChem 22672285
CONTENTS