C148H101N9 — CID 159082220
2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159082220) has the molecular formula C148H101N9 and a molecular weight of 2005.50 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 159082220 |
| Molecular Formula | C148H101N9 |
| Molecular Weight | 2005.50 g/mol |
| Exact Mass | 2003.82 |
| IUPAC Name | 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cccc3cc21.CC1(C)c2ccccc2-c2cc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)c3cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6cc7c(cc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1 |
| InChI | InChI=1S/C60H39N3.2C44H31N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)48-36-45-21-13-14-26-51(45)53(38-48)46-34-33-44-39-56-54(37-47(44)35-46)52-27-15-16-28-55(52)60(56,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-44(2)39-23-12-11-21-35(39)38-27-37-30(26-40(38)44)18-13-22-33(37)34-24-25-36(32-20-10-9-19-31(32)34)43-46-41(28-14-5-3-6-15-28)45-42(47-43)29-16-7-4-8-17-29;1-44(2)39-21-9-8-19-36(39)38-26-32-17-11-20-35(37(32)27-40(38)44)31-16-10-18-33(25-31)42-45-41(29-13-4-3-5-14-29)46-43(47-42)34-23-22-28-12-6-7-15-30(28)24-34/h1-39H;2*3-27H,1-2H3 |
| InChIKey | KAZRFYOCRLYRJY-UHFFFAOYSA-N |
| XLogP | 37.18 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 157 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2005.50 |
| LogP ≤ 5 | 37.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |