C141H103N9 — CID 158622998
2-(9,9-dimethylfluoren-3-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-1,4-dihydro-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine (PubChem CID 158622998) has the molecular formula C141H103N9 and a molecular weight of 1923.44 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-1,4-dihydro-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine.
| Compound Name | 2-(9,9-dimethylfluoren-3-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-1,4-dihydro-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158622998 |
| Molecular Formula | C141H103N9 |
| Molecular Weight | 1923.44 g/mol |
| Exact Mass | 1921.83 |
| IUPAC Name | 2-(9,9-dimethylfluoren-3-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-1,4-dihydro-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Cc4c(-c6ccccc6)cccc4-5)n3)ccc21.CC1(C)c2ccccc2-c2cc(C3N=C(c4ccccc4)NC(c4cccc5c4Cc4c(-c6ccc(-c7ccccc7)cc6)cccc4-5)=N3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)n4)c3)cc21 |
| InChI | InChI=1S/C49H35N3.C49H37N3.C43H31N3/c1-49(2)44-25-10-9-20-39(44)40-27-26-34(29-45(40)49)33-18-11-19-35(28-33)47-50-46(32-16-7-4-8-17-32)51-48(52-47)41-24-13-23-38-37-22-12-21-36(42(37)30-43(38)41)31-14-5-3-6-15-31;1-49(2)44-22-10-9-17-39(44)43-29-35(27-28-45(43)49)47-50-46(34-15-7-4-8-16-34)51-48(52-47)40-21-12-20-38-37-19-11-18-36(41(37)30-42(38)40)33-25-23-32(24-26-33)31-13-5-3-6-14-31;1-43(2)38-22-10-9-17-33(38)37-25-29(23-24-39(37)43)41-44-40(28-15-7-4-8-16-28)45-42(46-41)34-21-12-20-32-31-19-11-18-30(35(31)26-36(32)34)27-13-5-3-6-14-27/h3-29H,30H2,1-2H3;3-29,47H,30H2,1-2H3,(H,50,51,52);3-25H,26H2,1-2H3 |
| InChIKey | HYFULNDLCCKMEA-UHFFFAOYSA-N |
| XLogP | 33.89 |
| TPSA | 114.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 150 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1923.44 |
| LogP ≤ 5 | 33.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |