C136H100N12 — CID 159386432
2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 159386432) has the molecular formula C136H100N12 and a molecular weight of 1902.38 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159386432 |
| Molecular Formula | C136H100N12 |
| Molecular Weight | 1902.38 g/mol |
| Exact Mass | 1900.82 |
| IUPAC Name | 2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c1ccc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21.CC1(C)c2ccccc2-c2c1ccc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2c1ccc1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2c1ccc1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21 |
| InChI | InChI=1S/4C34H25N3/c1-34(2)27-19-10-9-17-25(27)30-28(34)21-20-22-16-11-18-26(29(22)30)33-36-31(23-12-5-3-6-13-23)35-32(37-33)24-14-7-4-8-15-24;1-34(2)28-19-10-9-16-27(28)30-25-17-11-18-26(24(25)20-21-29(30)34)33-36-31(22-12-5-3-6-13-22)35-32(37-33)23-14-7-4-8-15-23;1-34(2)28-16-10-9-15-27(28)30-26-19-17-25(21-24(26)18-20-29(30)34)33-36-31(22-11-5-3-6-12-22)35-32(37-33)23-13-7-4-8-14-23;1-34(2)28-16-10-9-15-26(28)30-27-21-25(18-17-22(27)19-20-29(30)34)33-36-31(23-11-5-3-6-12-23)35-32(37-33)24-13-7-4-8-14-24/h4*3-21H,1-2H3 |
| InChIKey | LLOAGMMQCXKOSJ-UHFFFAOYSA-N |
| XLogP | 33.33 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1902.38 |
| LogP ≤ 5 | 33.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |