C192H130N12 — CID 163808088
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 163808088) has the molecular formula C192H130N12 and a molecular weight of 2605.24 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
| Compound Name | 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 163808088 |
| Molecular Formula | C192H130N12 |
| Molecular Weight | 2605.24 g/mol |
| Exact Mass | 2603.05 |
| IUPAC Name | 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4c5c(cc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc2ccccc2c3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1 |
| InChI | InChI=1S/C56H37N3.C52H33N3.C46H33N3.C38H27N3/c1-5-17-38(18-6-1)40-29-33-42(34-30-40)53-57-54(43-35-31-41(32-36-43)39-19-7-2-8-20-39)59-55(58-53)52-47-26-14-13-21-44(47)37-50-51(52)48-27-15-16-28-49(48)56(50,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-3-20-41(21-4-1)52(42-22-5-2-6-23-42)45-26-14-13-25-44(45)47-46(52)33-38-19-11-12-24-43(38)48(47)51-54-49(39-29-27-34-15-7-9-17-36(34)31-39)53-50(55-51)40-30-28-35-16-8-10-18-37(35)32-40;1-46(2)39-20-12-11-19-38(39)41-40(46)29-36-17-9-10-18-37(36)42(41)45-48-43(34-25-21-32(22-26-34)30-13-5-3-6-14-30)47-44(49-45)35-27-23-33(24-28-35)31-15-7-4-8-16-31;1-38(2)31-19-11-10-18-30(31)33-32(38)23-27-16-8-9-17-29(27)34(33)37-40-35(25-13-4-3-5-14-25)39-36(41-37)28-21-20-24-12-6-7-15-26(24)22-28/h1-37H;1-33H;3-29H,1-2H3;3-23H,1-2H3 |
| InChIKey | NKVANGQTIPPGSG-UHFFFAOYSA-N |
| XLogP | 47.57 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2605.24 |
| LogP ≤ 5 | 47.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |