C366H225N31S2 — CID 159896596
2-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-(4-benzo[c]phenanthren-5-yl-6-carbazol-9-yl-1,3,5-triazin-2-yl)carbazole;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;2-benzo[c]phenanthren-2-ylpyrimidine;9-(4-benzo[c]phenanthren-5-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;6-(2-isoquinolin-6-ylbenzo[c]phenanthren-7-yl)isoquinoline;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine (PubChem CID 159896596) has the molecular formula C366H225N31S2 and a molecular weight of 5121.18 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-(4-benzo[c]phenanthren-5-yl-6-carbazol-9-yl-1,3,5-triazin-2-yl)carbazole;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;2-benzo[c]phenanthren-2-ylpyrimidine;9-(4-benzo[c]phenanthren-5-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;6-(2-isoquinolin-6-ylbenzo[c]phenanthren-7-yl)isoquinoline;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine.
| Compound Name | 2-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-(4-benzo[c]phenanthren-5-yl-6-carbazol-9-yl-1,3,5-triazin-2-yl)carbazole;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;2-benzo[c]phenanthren-2-ylpyrimidine;9-(4-benzo[c]phenanthren-5-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;6-(2-isoquinolin-6-ylbenzo[c]phenanthren-7-yl)isoquinoline;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159896596 |
| Molecular Formula | C366H225N31S2 |
| Molecular Weight | 5121.18 g/mol |
| Exact Mass | 5116.80 |
| IUPAC Name | 2-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-(4-benzo[c]phenanthren-5-yl-6-carbazol-9-yl-1,3,5-triazin-2-yl)carbazole;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;2-benzo[c]phenanthren-2-ylpyrimidine;9-(4-benzo[c]phenanthren-5-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;6-(2-isoquinolin-6-ylbenzo[c]phenanthren-7-yl)isoquinoline;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine |
| SMILES | Cn1cnc2cccc(-c3cc4ccccc4c4c3ccc3cccc(-c5cccc6ncn(C)c56)c34)c21.c1ccc(-c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc3ccncc23)cc1.c1ccc(-c2ncnc(-c3ccc4ccc5ccc6ccccc6c5c4c3)n2)cc1.c1ccc2c(c1)cc(-c1ccc3cnccc3c1)c1ccc3ccc(-c4ccc5cnccc5c4)cc3c12.c1ccc2c(c1)cc(-c1cccc3ncsc13)c1ccc3ccc(-c4cccc5ncsc45)cc3c12.c1ccc2c(c1)cc(-c1ncncn1)c1ccc3ccc(-c4ncncn4)cc3c12.c1ccc2c(c1)ccc1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5ccccc54)n3)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c3ccccc3c12.c1ccc2c(c1)ccc1ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc12.c1ccc2c(c1)ccc1ccc3ccc(-c4ccc5ccc6cccnc6c5c4)cc3c12.c1cnc(-c2ccc3ccc4ccc5ccccc5c4c3c2)nc1 |
| InChI | InChI=1S/C51H30N4.C45H27N5.C36H22N2.C34H24N4.C33H21N.C32H18N2S2.2C31H19N.C27H17N3.C24H14N6.C22H14N2/c1-2-14-34-31(13-1)25-26-32-29-45(39-19-7-8-22-43(39)48(32)34)50-52-49(53-51(54-50)55-46-23-11-9-20-41(46)42-21-10-12-24-47(42)55)33-27-28-40-37-17-4-3-15-35(37)36-16-5-6-18-38(36)44(40)30-33;1-2-14-30-28(13-1)25-26-29-27-37(31-15-3-4-20-36(31)42(29)30)43-46-44(49-38-21-9-5-16-32(38)33-17-6-10-22-39(33)49)48-45(47-43)50-40-23-11-7-18-34(40)35-19-8-12-24-41(35)50;1-2-4-32-28(3-1)20-34(29-8-10-31-22-38-16-14-27(31)18-29)33-12-11-23-5-6-25(19-35(23)36(32)33)24-7-9-30-21-37-15-13-26(30)17-24;1-37-19-35-29-14-6-12-26(33(29)37)24-11-5-9-21-16-17-25-28(27-13-7-15-30-34(27)38(2)20-36-30)18-22-8-3-4-10-23(22)32(25)31(21)24;1-2-6-22(7-3-1)30-20-28(18-27-16-17-34-21-32(27)30)26-15-12-24-11-14-25-13-10-23-8-4-5-9-29(23)33(25)31(24)19-26;1-2-6-22-20(5-1)16-27(25-8-4-10-29-32(25)36-18-34-29)24-14-13-19-11-12-21(15-26(19)30(22)24)23-7-3-9-28-31(23)35-17-33-28;1-3-7-26-20(5-1)9-13-23-14-10-22-12-16-25(19-28(22)30(23)26)29-18-17-24-15-11-21-6-2-4-8-27(21)31(24)32-29;1-2-6-27-20(4-1)7-12-23-13-8-21-10-15-25(18-28(21)30(23)27)26-16-11-22-9-14-24-5-3-17-32-31(24)29(22)19-26;1-2-7-21(8-3-1)26-28-17-29-27(30-26)22-15-12-19-11-14-20-13-10-18-6-4-5-9-23(18)25(20)24(19)16-22;1-2-4-18-16(3-1)9-21(24-29-13-26-14-30-24)19-8-7-15-5-6-17(10-20(15)22(18)19)23-27-11-25-12-28-23;1-2-5-19-15(4-1)6-9-17-10-7-16-8-11-18(14-20(16)21(17)19)22-23-12-3-13-24-22/h1-30H;1-27H;1-22H;3-20H,1-2H3;1-21H;1-18H;2*1-19H;1-17H;1-14H;1-14H |
| InChIKey | NVKNOAFSGDJMKO-UHFFFAOYSA-N |
| XLogP | 95.12 |
| TPSA | 359.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 399 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5121.18 |
| LogP ≤ 5 | 95.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 33 |