C282H264N30O40 — CID 158563004
bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate (PubChem CID 158563004) has the molecular formula C282H264N30O40 and a molecular weight of 4713.38 g/mol. Its IUPAC name is bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate.
| Compound Name | bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate |
|---|---|
| PubChem CID | 158563004 |
| Molecular Formula | C282H264N30O40 |
| Molecular Weight | 4713.38 g/mol |
| Exact Mass | 4709.95 |
| IUPAC Name | bis[2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] decanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] hexanedioate;bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] octanedioate |
| SMILES | Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(OCCOC(=O)CCCCCCCCCCC(=O)OCCOc4ccc(-c5nc(-c6ccc(C)cc6)nc(-c6ccc(C)cc6)n5)c(O)c4)cc3O)n2)cc1.O=C(CCCCC(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.O=C(CCCCCCC(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.O=C(CCCCCCCCC(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.O=C(CCCCCCCCCCC(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 |
| InChI | InChI=1S/C62H64N6O8.C58H56N6O8.C56H52N6O8.C54H48N6O8.C52H44N6O8/c1-41-15-23-45(24-16-41)57-63-58(46-25-17-42(2)18-26-46)66-61(65-57)51-33-31-49(39-53(51)69)73-35-37-75-55(71)13-11-9-7-5-6-8-10-12-14-56(72)76-38-36-74-50-32-34-52(54(70)40-50)62-67-59(47-27-19-43(3)20-28-47)64-60(68-62)48-29-21-44(4)22-30-48;65-49-39-45(31-33-47(49)57-61-53(41-21-11-7-12-22-41)59-54(62-57)42-23-13-8-14-24-42)69-35-37-71-51(67)29-19-5-3-1-2-4-6-20-30-52(68)72-38-36-70-46-32-34-48(50(66)40-46)58-63-55(43-25-15-9-16-26-43)60-56(64-58)44-27-17-10-18-28-44;63-47-37-43(29-31-45(47)55-59-51(39-19-9-5-10-20-39)57-52(60-55)40-21-11-6-12-22-40)67-33-35-69-49(65)27-17-3-1-2-4-18-28-50(66)70-36-34-68-44-30-32-46(48(64)38-44)56-61-53(41-23-13-7-14-24-41)58-54(62-56)42-25-15-8-16-26-42;61-45-35-41(27-29-43(45)53-57-49(37-17-7-3-8-18-37)55-50(58-53)38-19-9-4-10-20-38)65-31-33-67-47(63)25-15-1-2-16-26-48(64)68-34-32-66-42-28-30-44(46(62)36-42)54-59-51(39-21-11-5-12-22-39)56-52(60-54)40-23-13-6-14-24-40;59-43-33-39(25-27-41(43)51-55-47(35-15-5-1-6-16-35)53-48(56-51)36-17-7-2-8-18-36)63-29-31-65-45(61)23-13-14-24-46(62)66-32-30-64-40-26-28-42(44(60)34-40)52-57-49(37-19-9-3-10-20-37)54-50(58-52)38-21-11-4-12-22-38/h15-34,39-40,69-70H,5-14,35-38H2,1-4H3;7-18,21-28,31-34,39-40,65-66H,1-6,19-20,29-30,35-38H2;5-16,19-26,29-32,37-38,63-64H,1-4,17-18,27-28,33-36H2;3-14,17-24,27-30,35-36,61-62H,1-2,15-16,25-26,31-34H2;1-12,15-22,25-28,33-34,59-60H,13-14,23-24,29-32H2 |
| InChIKey | HRCTWARAGFZLLC-UHFFFAOYSA-N |
| XLogP | 56.13 |
| TPSA | 944.30 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 113 |
| Heavy Atoms | 352 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4713.38 |
| LogP ≤ 5 | 56.13 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 70 |