C240H156N20O2 — CID 158510415
2-[6-[7-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]phenanthren-2-yl]-2-pyridinyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-phenanthren-2-yl-4,6-diphenylpyridine;2-phenanthren-2-yl-4,6-diphenylpyrimidine;2-phenanthren-2-yl-4,6-diphenyl-1,3,5-triazine (PubChem CID 158510415) has the molecular formula C240H156N20O2 and a molecular weight of 3352.03 g/mol. Its IUPAC name is 2-[6-[7-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]phenanthren-2-yl]-2-pyridinyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-phenanthren-2-yl-4,6-diphenylpyridine;2-phenanthren-2-yl-4,6-diphenylpyrimidine;2-phenanthren-2-yl-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[6-[7-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]phenanthren-2-yl]-2-pyridinyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-phenanthren-2-yl-4,6-diphenylpyridine;2-phenanthren-2-yl-4,6-diphenylpyrimidine;2-phenanthren-2-yl-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158510415 |
| Molecular Formula | C240H156N20O2 |
| Molecular Weight | 3352.03 g/mol |
| Exact Mass | 3349.27 |
| IUPAC Name | 2-[6-[7-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]phenanthren-2-yl]-2-pyridinyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-phenanthren-2-yl-4,6-diphenylpyridine;2-phenanthren-2-yl-4,6-diphenylpyrimidine;2-phenanthren-2-yl-4,6-diphenyl-1,3,5-triazine |
| SMILES | Cn1c(-c2cccc(-c3ccc4c(ccc5cc(-c6cccc(-c7nc8ccccc8n7C)c6)ccc54)c3)c2)nc2ccccc21.c1cc(-c2ccc3c(ccc4cc(-c5cccc(-c6nc7ccccc7o6)n5)ccc43)c2)nc(-c2nc3ccccc3o2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)ccc2c1 |
| InChI | InChI=1S/C42H30N4.C38H22N4O2.C37H23N3.C33H21N3.C31H21N.C30H20N2.C29H19N3/c1-45-39-15-5-3-13-37(39)43-41(45)33-11-7-9-27(25-33)29-19-21-35-31(23-29)17-18-32-24-30(20-22-36(32)35)28-10-8-12-34(26-28)42-44-38-14-4-6-16-40(38)46(42)2;1-3-13-35-31(7-1)41-37(43-35)33-11-5-9-29(39-33)25-17-19-27-23(21-25)15-16-24-22-26(18-20-28(24)27)30-10-6-12-34(40-30)38-42-32-8-2-4-14-36(32)44-38;1-3-10-27-21-30(17-13-24(27)7-1)35-38-36(31-18-14-25-8-2-4-11-28(25)22-31)40-37(39-35)32-19-20-34-29(23-32)16-15-26-9-5-6-12-33(26)34;1-2-10-24(11-3-1)31-34-32(27-17-14-22-8-4-5-12-25(22)20-27)36-33(35-31)28-18-19-30-26(21-28)16-15-23-9-6-7-13-29(23)30;1-3-9-22(10-4-1)27-20-30(24-12-5-2-6-13-24)32-31(21-27)26-17-18-29-25(19-26)16-15-23-11-7-8-14-28(23)29;1-3-10-22(11-4-1)28-20-29(23-12-5-2-6-13-23)32-30(31-28)25-17-18-27-24(19-25)16-15-21-9-7-8-14-26(21)27;1-3-10-21(11-4-1)27-30-28(22-12-5-2-6-13-22)32-29(31-27)24-17-18-26-23(19-24)16-15-20-9-7-8-14-25(20)26/h3-26H,1-2H3;1-22H;1-23H;1-21H;1-21H;1-20H;1-19H |
| InChIKey | HKZDOJDOSCYCHZ-UHFFFAOYSA-N |
| XLogP | 61.34 |
| TPSA | 268.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 262 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3352.03 |
| LogP ≤ 5 | 61.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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