C160H112N12 — CID 159292618
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 159292618) has the molecular formula C160H112N12 and a molecular weight of 2202.74 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
| Compound Name | 2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159292618 |
| Molecular Formula | C160H112N12 |
| Molecular Weight | 2202.74 g/mol |
| Exact Mass | 2200.91 |
| IUPAC Name | 2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c1ccc1c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cccc21.CC1(C)c2ccccc2-c2c1ccc1cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccccc45)n3)ccc21.CC1(C)c2ccccc2-c2c1ccc1ccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)cc21.CC1(C)c2ccccc2-c2c1ccc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c21 |
| InChI | InChI=1S/2C42H29N3.2C38H27N3/c1-42(2)36-17-8-7-14-35(36)38-33-15-9-16-34(32(33)22-23-37(38)42)41-44-39(30-20-18-26-10-3-5-12-28(26)24-30)43-40(45-41)31-21-19-27-11-4-6-13-29(27)25-31;1-42(2)36-17-8-7-15-35(36)38-33-22-20-31(25-29(33)21-23-37(38)42)40-43-39(30-19-18-26-10-3-4-12-28(26)24-30)44-41(45-40)34-16-9-13-27-11-5-6-14-32(27)34;1-38(2)31-21-9-8-18-29(31)34-32(38)23-22-25-16-11-20-30(33(25)34)37-40-35(26-13-4-3-5-14-26)39-36(41-37)28-19-10-15-24-12-6-7-17-27(24)28;1-38(2)32-18-9-8-16-30(32)34-31-23-27(20-19-25(31)21-22-33(34)38)36-39-35(26-12-4-3-5-13-26)40-37(41-36)29-17-10-14-24-11-6-7-15-28(24)29/h2*3-25H,1-2H3;2*3-23H,1-2H3 |
| InChIKey | LAHWHQVGWPJDHL-UHFFFAOYSA-N |
| XLogP | 40.25 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2202.74 |
| LogP ≤ 5 | 40.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |