C177H117N9 — CID 165107477
2-(9,10-diphenylanthracen-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenylpyridine;2,4-diphenyl-6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3,5-triazine;4,6-diphenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine (PubChem CID 165107477) has the molecular formula C177H117N9 and a molecular weight of 2369.95 g/mol. Its IUPAC name is 2-(9,10-diphenylanthracen-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenylpyridine;2,4-diphenyl-6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3,5-triazine;4,6-diphenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine.
| Compound Name | 2-(9,10-diphenylanthracen-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenylpyridine;2,4-diphenyl-6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3,5-triazine;4,6-diphenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine |
|---|---|
| PubChem CID | 165107477 |
| Molecular Formula | C177H117N9 |
| Molecular Weight | 2369.95 g/mol |
| Exact Mass | 2367.94 |
| IUPAC Name | 2-(9,10-diphenylanthracen-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenylpyridine;2,4-diphenyl-6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3,5-triazine;4,6-diphenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)n2)cc1 |
| InChI | InChI=1S/C49H33N.C45H29N3.C42H28N2.C41H27N3/c1-5-16-34(17-6-1)46-32-41(33-47(50-46)35-18-7-2-8-19-35)39-25-15-24-38(30-39)40-28-29-44-45(31-40)49(37-22-11-4-12-23-37)43-27-14-13-26-42(43)48(44)36-20-9-3-10-21-36;1-4-14-30(15-5-1)41-37-20-10-12-22-39(37)42(40-23-13-11-21-38(40)41)35-26-24-34-29-36(27-25-33(34)28-35)45-47-43(31-16-6-2-7-17-31)46-44(48-45)32-18-8-3-9-19-32;1-4-14-29(15-5-1)38-28-39(30-16-6-2-7-17-30)44-42(43-38)33-26-24-32(25-27-33)41-36-22-12-10-20-34(36)40(31-18-8-3-9-19-31)35-21-11-13-23-37(35)41;1-5-15-28(16-6-1)37-33-23-13-14-24-34(33)38(29-17-7-2-8-18-29)36-27-32(25-26-35(36)37)41-43-39(30-19-9-3-10-20-30)42-40(44-41)31-21-11-4-12-22-31/h1-33H;1-29H;1-28H;1-27H |
| InChIKey | ZJQPBWSTMIFCSM-UHFFFAOYSA-N |
| XLogP | 46.69 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2369.95 |
| LogP ≤ 5 | 46.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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