U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C90H132NO9P3
Molecular Weight 1464.9337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIS(2-((2,4,8,10-TETRA-TERT- BUTYLDIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)AMINE

SMILES

CC(C)(C)C1=CC(=C2OP(OCCN(CCOP3OC4=C(C=C(C=C4C5=CC(=CC(=C5O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCOP6OC7=C(C=C(C=C7C8=CC(=CC(=C8O6)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OC9=C(C=C(C=C9C2=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChIKey=YAGPRJYCDKGWJR-UHFFFAOYSA-N
InChI=1S/C90H132NO9P3/c1-79(2,3)55-43-61-62-44-56(80(4,5)6)50-68(86(22,23)24)74(62)96-101(95-73(61)67(49-55)85(19,20)21)92-40-37-91(38-41-93-102-97-75-63(45-57(81(7,8)9)51-69(75)87(25,26)27)64-46-58(82(10,11)12)52-70(76(64)98-102)88(28,29)30)39-42-94-103-99-77-65(47-59(83(13,14)15)53-71(77)89(31,32)33)66-48-60(84(16,17)18)54-72(78(66)100-103)90(34,35)36/h43-54H,37-42H2,1-36H3

HIDE SMILES / InChI

Molecular Formula C90H156NO9P3
Molecular Weight 1489.1242
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:32:43 GMT 2023
Edited
by admin
on Sat Dec 16 00:32:43 GMT 2023
Record UNII
LJ3N6AAU2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIS(2-((2,4,8,10-TETRA-TERT- BUTYLDIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)AMINE
Common Name English
2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)-N,N-BIS(2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)ETHANAMINE
Common Name English
ETHANAMINE, 2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)-N,N-BIS(2-((2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)-
Systematic Name English
2,2',2''-NITRILO(TRIETHYL TRIS(3,3',5,5'-TETRA-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIYL) PHOSPHITE)
Common Name English
TRIS(2-((2,4,8,10-TETRA-TERT-BUTYLDIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN-6-YL)OXY)ETHYL)AMINE
Common Name English
IRGAFOS 12
Brand Name English
Code System Code Type Description
CAS
80410-33-9
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-459-6
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90888576
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY
PUBCHEM
174215
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY
FDA UNII
LJ3N6AAU2G
Created by admin on Sat Dec 16 00:32:43 GMT 2023 , Edited by admin on Sat Dec 16 00:32:43 GMT 2023
PRIMARY