C215H273NO24P8 — CID 161109114
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;[4-[1-[4-bis(trideca-1,3,5,7,9,11-hexaynoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] ditridecyl phosphite;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine (PubChem CID 161109114) has the molecular formula C215H273NO24P8 and a molecular weight of 3503.32 g/mol. Its IUPAC name is 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;[4-[1-[4-bis(trideca-1,3,5,7,9,11-hexaynoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] ditridecyl phosphite;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine.
| Compound Name | 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;[4-[1-[4-bis(trideca-1,3,5,7,9,11-hexaynoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] ditridecyl phosphite;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine |
|---|---|
| PubChem CID | 161109114 |
| Molecular Formula | C215H273NO24P8 |
| Molecular Weight | 3503.32 g/mol |
| Exact Mass | 3500.81 |
| IUPAC Name | 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;[4-[1-[4-bis(trideca-1,3,5,7,9,11-hexaynoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] ditridecyl phosphite;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine |
| SMILES | CC#CC#CC#CC#CC#CC#COP(OC#CC#CC#CC#CC#CC#CC)Oc1cc(C)c(C(CCC)c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)cc2C)cc1C(C)(C)C.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1.c1ccc(OP(OCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1 |
| InChI | InChI=1S/C78H96O6P2.C53H58O6P2.C30H46NO3P.C27H26O6P2.C27H47O3P/c1-14-19-23-27-31-35-39-43-47-51-55-60-79-85(80-61-56-52-48-44-40-36-32-28-24-20-15-2)83-75-64-68(6)71(66-73(75)77(8,9)10)70(59-18-5)72-67-74(78(11,12)13)76(65-69(72)7)84-86(81-62-57-53-49-45-41-37-33-29-25-21-16-3)82-63-58-54-50-46-42-38-34-30-26-22-17-4;1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(30(10,11)12)26(22)34-35(32-14-13-31)33-25(21)23(17-19)29(7,8)9;1-5-14-24(15-6-1)30-34(31-25-16-7-2-8-17-25)28-22-13-23-29-35(32-26-18-9-3-10-19-26)33-27-20-11-4-12-21-27;1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h64-67,70H,14-15,18-20,23-24,27-28,31-32,35-36,39-40,43-44,47-48,51-52,55-56,59-61H2,1-13H3;9-34H,35-38H2,1-8H3;15-18H,13-14,31H2,1-12H3;1-12,14-21H,13,22-23H2;16-17H,12-15,18-19H2,1-11H3 |
| InChIKey | UJLPFVKPPAQARP-UHFFFAOYSA-N |
| XLogP | 59.57 |
| TPSA | 255.36 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3503.32 |
| LogP ≤ 5 | 59.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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