C191H132N18 — CID 159731583
2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 159731583) has the molecular formula C191H132N18 and a molecular weight of 2679.28 g/mol. Its IUPAC name is 2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
| Compound Name | 2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine |
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| PubChem CID | 159731583 |
| Molecular Formula | C191H132N18 |
| Molecular Weight | 2679.28 g/mol |
| Exact Mass | 2677.09 |
| IUPAC Name | 2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine |
| SMILES | CC(C)(c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.CC(c1ccccc1)(c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(C5(c6ccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9ccccc9c8)n7)cc6)CCCCC5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1 |
| InChI | InChI=1S/C66H44N6.C64H46N6.C61H42N6/c1-66(57-21-3-2-4-22-57,58-35-31-47(32-36-58)60-67-62(53-27-23-43-13-5-9-17-49(43)39-53)71-63(68-60)54-28-24-44-14-6-10-18-50(44)40-54)59-37-33-48(34-38-59)61-69-64(55-29-25-45-15-7-11-19-51(45)41-55)72-65(70-61)56-30-26-46-16-8-12-20-52(46)42-56;1-10-36-64(37-11-1,56-32-28-46(29-33-56)58-65-60(52-24-20-42-12-2-6-16-48(42)38-52)69-61(66-58)53-25-21-43-13-3-7-17-49(43)39-53)57-34-30-47(31-35-57)59-67-62(54-26-22-44-14-4-8-18-50(44)40-54)70-63(68-59)55-27-23-45-15-5-9-19-51(45)41-55;1-61(2,53-31-27-43(28-32-53)55-62-57(49-23-19-39-11-3-7-15-45(39)35-49)66-58(63-55)50-24-20-40-12-4-8-16-46(40)36-50)54-33-29-44(30-34-54)56-64-59(51-25-21-41-13-5-9-17-47(41)37-51)67-60(65-56)52-26-22-42-14-6-10-18-48(42)38-52/h2-42H,1H3;2-9,12-35,38-41H,1,10-11,36-37H2;3-38H,1-2H3 |
| InChIKey | NBHKXGSIOLXRES-UHFFFAOYSA-N |
| XLogP | 46.94 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2679.28 |
| LogP ≤ 5 | 46.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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