C159H99N15 — CID 159268337
2-carbazol-9-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-carbazol-9-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 159268337) has the molecular formula C159H99N15 and a molecular weight of 2219.65 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-carbazol-9-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
| Compound Name | 2-carbazol-9-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-carbazol-9-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 159268337 |
| Molecular Formula | C159H99N15 |
| Molecular Weight | 2219.65 g/mol |
| Exact Mass | 2217.82 |
| IUPAC Name | 2-carbazol-9-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-carbazol-9-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7cccc(-n8c9ccccc9c9ccccc98)c7cc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5ccccc5cc43)n2)cc1 |
| InChI | InChI=1S/3C53H33N5/c1-3-14-34(15-4-1)51-54-52(35-16-5-2-6-17-35)56-53(55-51)39-27-26-37-31-40(29-28-36(37)30-39)57-46-22-10-9-21-43(46)45-32-38-18-13-25-49(44(38)33-50(45)57)58-47-23-11-7-19-41(47)42-20-8-12-24-48(42)58;1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)43-29-27-34-15-9-10-22-40(34)50(43)58-48-30-28-39(33-45(48)44-31-37-20-7-8-21-38(37)32-49(44)58)57-46-25-13-11-23-41(46)42-24-12-14-26-47(42)57;1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)39-29-38-21-9-10-22-41(38)48(32-39)58-49-31-37-20-8-7-19-36(37)30-45(49)44-28-27-40(33-50(44)58)57-46-25-13-11-23-42(46)43-24-12-14-26-47(43)57/h3*1-33H |
| InChIKey | KXJSXUMENIMVAH-UHFFFAOYSA-N |
| XLogP | 40.12 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2219.65 |
| LogP ≤ 5 | 40.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |