C181H113N15 — CID 159675698
9-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[3-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 159675698) has the molecular formula C181H113N15 and a molecular weight of 2498.00 g/mol. Its IUPAC name is 9-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[3-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
| Compound Name | 9-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[3-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 159675698 |
| Molecular Formula | C181H113N15 |
| Molecular Weight | 2498.00 g/mol |
| Exact Mass | 2495.93 |
| IUPAC Name | 9-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[3-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)c5ccccc5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)c7ccccc7cc65)c4)nc(-c4cccc5ccccc45)n3)c2)cc1 |
| InChI | InChI=1S/C63H39N5.2C59H37N5/c1-2-14-40(15-3-1)42-26-29-43(30-27-42)61-64-62(47-31-28-41-16-4-5-17-44(41)34-47)66-63(65-61)49-35-46-18-6-7-19-51(46)59(39-49)68-58-25-13-10-22-54(58)55-37-48-36-50(33-32-45(48)38-60(55)68)67-56-23-11-8-20-52(56)53-21-9-12-24-57(53)67;1-2-17-38(18-3-1)40-22-14-23-42(35-40)57-60-58(62-59(61-57)49-31-16-21-39-19-4-6-26-45(39)49)43-24-15-25-44(36-43)63-53-34-13-10-30-50(53)55-54(63)37-41-20-5-7-27-46(41)56(55)64-51-32-11-8-28-47(51)48-29-9-12-33-52(48)64;1-2-14-38(15-3-1)41-20-12-21-44(32-41)57-60-58(62-59(61-57)46-29-28-39-16-4-5-17-40(39)33-46)45-22-13-23-47(34-45)64-55-36-43-19-7-6-18-42(43)35-52(55)51-31-30-48(37-56(51)64)63-53-26-10-8-24-49(53)50-25-9-11-27-54(50)63/h1-39H;2*1-37H |
| InChIKey | MUOLKFXOHYLFEC-UHFFFAOYSA-N |
| XLogP | 46.27 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2498.00 |
| LogP ≤ 5 | 46.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |