C238H307O27P9S — CID 165002101
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;[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;2-tert-butyl-4-(5-tert-butyl-2-methyl-4-phosphanyloxyphenyl)sulfanyl-5-methylphenol;4-[3-tert-butyl-4-[6-methoxyhexoxy(methyl)phosphanyl]oxy-5-(2-methylpropyl)phenyl]butan-2-one;3-diphenoxyphosphanyloxypropyl diphenyl phosphite (PubChem CID 165002101) has the molecular formula C238H307O27P9S and a molecular weight of 3910.88 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;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;[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;2-tert-butyl-4-(5-tert-butyl-2-methyl-4-phosphanyloxyphenyl)sulfanyl-5-methylphenol;4-[3-tert-butyl-4-[6-methoxyhexoxy(methyl)phosphanyl]oxy-5-(2-methylpropyl)phenyl]butan-2-one;3-diphenoxyphosphanyloxypropyl diphenyl phosphite.
| Compound Name | 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;[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;2-tert-butyl-4-(5-tert-butyl-2-methyl-4-phosphanyloxyphenyl)sulfanyl-5-methylphenol;4-[3-tert-butyl-4-[6-methoxyhexoxy(methyl)phosphanyl]oxy-5-(2-methylpropyl)phenyl]butan-2-one;3-diphenoxyphosphanyloxypropyl diphenyl phosphite |
|---|---|
| PubChem CID | 165002101 |
| Molecular Formula | C238H307O27P9S |
| Molecular Weight | 3910.88 g/mol |
| Exact Mass | 3908.00 |
| IUPAC Name | 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;[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;2-tert-butyl-4-(5-tert-butyl-2-methyl-4-phosphanyloxyphenyl)sulfanyl-5-methylphenol;4-[3-tert-butyl-4-[6-methoxyhexoxy(methyl)phosphanyl]oxy-5-(2-methylpropyl)phenyl]butan-2-one;3-diphenoxyphosphanyloxypropyl diphenyl phosphite |
| 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)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.COCCCCCCOP(C)Oc1c(CC(C)C)cc(CCC(C)=O)cc1C(C)(C)C.Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(OP)cc1C.c1ccc(OP(OCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1 |
| InChI | InChI=1S/C78H96O6P2.C53H58O6P2.C32H51O3P.C27H26O6P2.C26H45O4P.C22H31O2PS/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;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;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;1-20(2)17-23-18-22(14-13-21(3)27)19-24(26(4,5)6)25(23)30-31(8)29-16-12-10-9-11-15-28-7;1-13-9-17(23)15(21(3,4)5)11-19(13)26-20-12-16(22(6,7)8)18(24-25)10-14(20)2/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;17-20H,16H2,1-15H3;1-12,14-21H,13,22-23H2;18-20H,9-17H2,1-8H3;9-12,23H,25H2,1-8H3 |
| InChIKey | IKDYPIRBHGQDPH-UHFFFAOYSA-N |
| XLogP | 66.27 |
| TPSA | 268.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 86 |
| Heavy Atoms | 275 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3910.88 |
| LogP ≤ 5 | 66.27 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 28 |
| 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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