C162H113N19 — CID 158612011
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) (PubChem CID 158612011) has the molecular formula C162H113N19 and a molecular weight of 2325.82 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene).
| Compound Name | 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) |
|---|---|
| PubChem CID | 158612011 |
| Molecular Formula | C162H113N19 |
| Molecular Weight | 2325.82 g/mol |
| Exact Mass | 2323.94 |
| IUPAC Name | 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) |
| SMILES | C=CC.C=CC.C=CC.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1 |
| InChI | InChI=1S/2C57H35N7.C39H25N5.3C3H6/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)55-59-56(63-49-25-13-9-20-40(49)44-32-31-43-39-19-7-11-23-47(39)58-51(43)52(44)63)61-57(60-55)64-50-26-14-10-22-42(50)46-34-33-45-41-21-8-12-24-48(41)62(53(45)54(46)64)38-17-5-2-6-18-38;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;3*1-3-2/h1-34,58H;1-35H;1-25H;3*3H,1H2,2H3 |
| InChIKey | HWYJIHFMIWQIPR-UHFFFAOYSA-N |
| XLogP | 41.04 |
| TPSA | 176.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2325.82 |
| LogP ≤ 5 | 41.04 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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