C145H93N9 — CID 165003640
2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 165003640) has the molecular formula C145H93N9 and a molecular weight of 1961.40 g/mol. Its IUPAC name is 2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 165003640 |
| Molecular Formula | C145H93N9 |
| Molecular Weight | 1961.40 g/mol |
| Exact Mass | 1959.76 |
| IUPAC Name | 2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n3)c(-c3ccccc3)c2)cc1.c1ccc(C2(c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/2C52H33N3.C41H27N3/c1-2-15-41(16-3-1)52(47-20-10-8-18-45(47)46-19-9-11-21-48(46)52)42-29-26-36(27-30-42)49-53-50(39-25-22-34-12-4-5-14-37(34)32-39)55-51(54-49)40-28-31-44-38(33-40)24-23-35-13-6-7-17-43(35)44;1-2-17-39(18-3-1)52(47-24-12-10-22-44(47)45-23-11-13-25-48(45)52)40-30-28-35(29-31-40)49-53-50(38-27-26-34-14-4-5-15-36(34)32-38)55-51(54-49)46-33-37-16-6-7-19-41(37)42-20-8-9-21-43(42)46;1-4-14-28(15-5-1)31-24-25-36(37(26-31)29-16-6-2-7-17-29)40-42-39(30-18-8-3-9-19-30)43-41(44-40)38-27-32-20-10-11-21-33(32)34-22-12-13-23-35(34)38/h2*1-33H;1-27H |
| InChIKey | IQCDGWSPXWANAQ-UHFFFAOYSA-N |
| XLogP | 35.90 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 154 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1961.40 |
| LogP ≤ 5 | 35.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|