C176H149N15 — CID 159614229
2,4-bis(4-phenylphenyl)-6-(4-propan-2-ylphenyl)-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine;2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;4,6-diphenyl-2-(3-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-(4-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-propan-2-ylpyrimidine (PubChem CID 159614229) has the molecular formula C176H149N15 and a molecular weight of 2474.23 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(4-propan-2-ylphenyl)-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine;2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;4,6-diphenyl-2-(3-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-(4-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-propan-2-ylpyrimidine.
| Compound Name | 2,4-bis(4-phenylphenyl)-6-(4-propan-2-ylphenyl)-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine;2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;4,6-diphenyl-2-(3-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-(4-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-propan-2-ylpyrimidine |
|---|---|
| PubChem CID | 159614229 |
| Molecular Formula | C176H149N15 |
| Molecular Weight | 2474.23 g/mol |
| Exact Mass | 2472.21 |
| IUPAC Name | 2,4-bis(4-phenylphenyl)-6-(4-propan-2-ylphenyl)-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine;2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;4,6-diphenyl-2-(3-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-(4-propan-2-ylphenyl)pyrimidine;4,6-diphenyl-2-propan-2-ylpyrimidine |
| SMILES | CC(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC(C)c1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc1-2.CC(C)c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.CC(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 |
| InChI | InChI=1S/C41H33N3.C36H29N3.C30H25N3.2C25H22N2.C19H18N2/c1-25(2)28-19-21-32-33-22-20-29(24-37(33)41(3,4)36(32)23-28)38-42-39(34-17-9-13-26-11-5-7-15-30(26)34)44-40(43-38)35-18-10-14-27-12-6-8-16-31(27)35;1-25(2)26-13-19-31(20-14-26)34-37-35(32-21-15-29(16-22-32)27-9-5-3-6-10-27)39-36(38-34)33-23-17-30(18-24-33)28-11-7-4-8-12-28;1-21(2)28-31-29(26-17-13-24(14-18-26)22-9-5-3-6-10-22)33-30(32-28)27-19-15-25(16-20-27)23-11-7-4-8-12-23;1-18(2)21-14-9-15-22(16-21)25-26-23(19-10-5-3-6-11-19)17-24(27-25)20-12-7-4-8-13-20;1-18(2)19-13-15-22(16-14-19)25-26-23(20-9-5-3-6-10-20)17-24(27-25)21-11-7-4-8-12-21;1-14(2)19-20-17(15-9-5-3-6-10-15)13-18(21-19)16-11-7-4-8-12-16/h5-25H,1-4H3;3-25H,1-2H3;3-21H,1-2H3;2*3-18H,1-2H3;3-14H,1-2H3 |
| InChIKey | MNBRKIYJRXRVJY-UHFFFAOYSA-N |
| XLogP | 45.74 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2474.23 |
| LogP ≤ 5 | 45.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |