C159H99N15 — CID 158014065
1-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;3-carbazol-9-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 158014065) has the molecular formula C159H99N15 and a molecular weight of 2219.65 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;3-carbazol-9-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
| Compound Name | 1-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;3-carbazol-9-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 158014065 |
| Molecular Formula | C159H99N15 |
| Molecular Weight | 2219.65 g/mol |
| Exact Mass | 2217.82 |
| IUPAC Name | 1-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;3-carbazol-9-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4cc5ccccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccccc65)cccc43)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)c5ccccc5cc43)nc(-c3cccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/3C53H33N5/c1-2-18-35(19-3-1)51-54-52(41-28-16-21-34-17-4-6-22-37(34)41)56-53(55-51)43-27-11-15-32-47(43)57-46-31-14-10-26-42(46)49-48(57)33-36-20-5-7-23-38(36)50(49)58-44-29-12-8-24-39(44)40-25-9-13-30-45(40)58;1-2-17-35(18-3-1)51-54-52(41-26-14-21-34-16-6-7-22-38(34)41)56-53(55-51)42-25-10-13-29-46(42)58-48-31-15-30-47(50(48)43-32-36-19-4-5-20-37(36)33-49(43)58)57-44-27-11-8-23-39(44)40-24-9-12-28-45(40)57;1-2-15-35(16-3-1)51-54-52(39-27-26-34-14-4-5-17-36(34)30-39)56-53(55-51)44-22-10-13-25-48(44)58-49-32-38-19-7-6-18-37(38)31-45(49)43-29-28-40(33-50(43)58)57-46-23-11-8-20-41(46)42-21-9-12-24-47(42)57/h3*1-33H |
| InChIKey | FFFZRQNYENZKMU-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 |