C186H233N15 — CID 160536249
2-(3,5-dihexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(3,4-dimethylphenyl)-4-(4-hexylphenyl)-6-(2,3,4-trimethylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(4-hexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine (PubChem CID 160536249) has the molecular formula C186H233N15 and a molecular weight of 2679.01 g/mol. Its IUPAC name is 2-(3,5-dihexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(3,4-dimethylphenyl)-4-(4-hexylphenyl)-6-(2,3,4-trimethylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(4-hexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine.
| Compound Name | 2-(3,5-dihexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(3,4-dimethylphenyl)-4-(4-hexylphenyl)-6-(2,3,4-trimethylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(4-hexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine |
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| PubChem CID | 160536249 |
| Molecular Formula | C186H233N15 |
| Molecular Weight | 2679.01 g/mol |
| Exact Mass | 2676.87 |
| IUPAC Name | 2-(3,5-dihexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(3,4-dimethylphenyl)-4-(4-hexylphenyl)-6-(2,3,4-trimethylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine;2-(4-hexylphenyl)-4,6-bis(2,4,5-trimethylphenyl)-1,3,5-triazine |
| SMILES | CCCCCCCCCCCCc1ccc(-c2nc(-c3cc(C)c(C)cc3C)nc(-c3cc(C)c(C)cc3C)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(C)c4c3CCCC4)nc(-c3ccc(C)c4c3CCCC4)n2)cc1.CCCCCCc1cc(CCCCCC)cc(-c2nc(-c3cc(C)c(C)cc3C)nc(-c3cc(C)c(C)cc3C)n2)c1.CCCCCCc1ccc(-c2nc(-c3cc(C)c(C)cc3C)nc(-c3cc(C)c(C)cc3C)n2)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(C)c(C)c3)nc(-c3ccc(C)c(C)c3C)n2)cc1 |
| InChI | InChI=1S/C43H55N3.2C39H51N3.C33H39N3.C32H37N3/c1-4-5-6-7-8-9-10-11-12-13-18-33-25-27-34(28-26-33)41-44-42(39-29-23-31(2)35-19-14-16-21-37(35)39)46-43(45-41)40-30-24-32(3)36-20-15-17-22-38(36)40;1-9-11-13-15-17-32-23-33(18-16-14-12-10-2)25-34(24-32)37-40-38(35-21-28(5)26(3)19-30(35)7)42-39(41-37)36-22-29(6)27(4)20-31(36)8;1-8-9-10-11-12-13-14-15-16-17-18-33-19-21-34(22-20-33)37-40-38(35-25-29(4)27(2)23-31(35)6)42-39(41-37)36-26-30(5)28(3)24-32(36)7;1-8-9-10-11-12-27-13-15-28(16-14-27)31-34-32(29-19-23(4)21(2)17-25(29)6)36-33(35-31)30-20-24(5)22(3)18-26(30)7;1-7-8-9-10-11-26-14-17-27(18-15-26)30-33-31(28-16-12-21(2)23(4)20-28)35-32(34-30)29-19-13-22(3)24(5)25(29)6/h23-30H,4-22H2,1-3H3;19-25H,9-18H2,1-8H3;19-26H,8-18H2,1-7H3;13-20H,8-12H2,1-7H3;12-20H,7-11H2,1-6H3 |
| InChIKey | QWEUODTXAVACPR-UHFFFAOYSA-N |
| XLogP | 51.25 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2679.01 |
| LogP ≤ 5 | 51.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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