C227H156N16O6 — CID 158604449
9-[4-[(4-acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole (PubChem CID 158604449) has the molecular formula C227H156N16O6 and a molecular weight of 3203.85 g/mol. Its IUPAC name is 9-[4-[(4-acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole.
| Compound Name | 9-[4-[(4-acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole |
|---|---|
| PubChem CID | 158604449 |
| Molecular Formula | C227H156N16O6 |
| Molecular Weight | 3203.85 g/mol |
| Exact Mass | 3201.24 |
| IUPAC Name | 9-[4-[(4-acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole |
| SMILES | c1ccc(-c2cnc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1.c1ccc(C(c2ccccc2)(c2ccc(-c3c4ccccc4nc4ccccc34)cc2)c2ccc(-c3c4ccccc4nc4ccccc34)cc2)cc1.c1ccc(C(c2ccccc2)(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1 |
| InChI | InChI=1S/C53H38N6.C51H34N2.C43H30N2O2.C41H28N4O2.C39H26N2O2/c1-7-19-39(20-8-1)49-54-56-51(58(49)47-27-15-5-16-28-47)41-31-35-45(36-32-41)53(43-23-11-3-12-24-43,44-25-13-4-14-26-44)46-37-33-42(34-38-46)52-57-55-50(40-21-9-2-10-22-40)59(52)48-29-17-6-18-30-48;1-3-15-37(16-4-1)51(38-17-5-2-6-18-38,39-31-27-35(28-32-39)49-41-19-7-11-23-45(41)52-46-24-12-8-20-42(46)49)40-33-29-36(30-34-40)50-43-21-9-13-25-47(43)53-48-26-14-10-22-44(48)50;1-5-13-31(14-6-1)39-29-44-41(46-39)33-21-25-37(26-22-33)43(35-17-9-3-10-18-35,36-19-11-4-12-20-36)38-27-23-34(24-28-38)42-45-30-40(47-42)32-15-7-2-8-16-32;1-5-13-29(14-6-1)37-42-44-39(46-37)31-21-25-35(26-22-31)41(33-17-9-3-10-18-33,34-19-11-4-12-20-34)36-27-23-32(24-28-36)40-45-43-38(47-40)30-15-7-2-8-16-30;1-3-11-29(12-4-1)39(30-13-5-2-6-14-30,31-23-19-27(20-24-31)37-40-33-15-7-9-17-35(33)42-37)32-25-21-28(22-26-32)38-41-34-16-8-10-18-36(34)43-38/h1-38H;1-34H;1-30H;1-28H;1-26H |
| InChIKey | HWASIFXKKHTFIV-UHFFFAOYSA-N |
| XLogP | 54.61 |
| TPSA | 269.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 249 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3203.85 |
| LogP ≤ 5 | 54.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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