C312H196N16O3S3 — CID 159529031
6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;3-[6-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-2-yl]-1,10-phenanthroline;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole (PubChem CID 159529031) has the molecular formula C312H196N16O3S3 and a molecular weight of 4313.31 g/mol. Its IUPAC name is 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;3-[6-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-2-yl]-1,10-phenanthroline;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole.
| Compound Name | 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;3-[6-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-2-yl]-1,10-phenanthroline;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole |
|---|---|
| PubChem CID | 159529031 |
| Molecular Formula | C312H196N16O3S3 |
| Molecular Weight | 4313.31 g/mol |
| Exact Mass | 4309.48 |
| IUPAC Name | 6-[3-[7-[3-(1,3-benzothiazol-6-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzothiazole;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;3-[6-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-2-yl]-1,10-phenanthroline;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole |
| SMILES | Cn1c(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc2ccccc21.Cn1cnc2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.Cn1cnc2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nc3ccccc3o2)c1.c1cc(-c2ccc3ncoc3c2)nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3c4ccc(-c5cccc(-c6ccc7ncsc7c6)c5)cc4c4ccccc4c3c2)c1.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc5ncoc5c4)cc3)ccc21.c1ccc2cc(-c3ccc4c5ccc(-c6ccc7cc(-c8cnc9c(ccc%10cccnc%109)c8)ccc7c6)cc5c5ccccc5c4c3)ccc2c1 |
| InChI | InChI=1S/C50H30N2.C44H26N2S2.2C32H22N2.C31H21N3.2C31H19NO.C31H19NS.C30H18N2O/c1-2-7-33-24-36(13-11-31(33)6-1)39-19-21-45-46-22-20-40(29-48(46)44-10-4-3-9-43(44)47(45)28-39)37-15-14-35-26-38(17-16-34(35)25-37)42-27-41-18-12-32-8-5-23-51-49(32)50(41)52-30-42;1-2-10-36-35(9-1)39-21-31(27-5-3-7-29(19-27)33-13-17-41-43(23-33)47-25-45-41)11-15-37(39)38-16-12-32(22-40(36)38)28-6-4-8-30(20-28)34-14-18-42-44(24-34)48-26-46-42;1-34-31-16-7-6-15-30(31)33-32(34)23-10-8-9-21(19-23)22-17-18-28-26-13-3-2-11-24(26)25-12-4-5-14-27(25)29(28)20-22;1-34-20-33-31-17-15-24(19-32(31)34)22-12-10-21(11-13-22)23-14-16-29-27-8-3-2-6-25(27)26-7-4-5-9-28(26)30(29)18-23;1-34-19-32-30-16-14-21(18-31(30)34)29-12-6-11-28(33-29)20-13-15-26-24-9-3-2-7-22(24)23-8-4-5-10-25(23)27(26)17-20;1-2-12-25-23(10-1)24-11-3-4-13-26(24)28-19-21(16-17-27(25)28)20-8-7-9-22(18-20)31-32-29-14-5-6-15-30(29)33-31;1-2-7-26-24(5-1)25-6-3-4-8-27(25)29-17-22(13-15-28(26)29)20-9-11-21(12-10-20)23-14-16-30-31(18-23)33-19-32-30;1-2-10-26-24(8-1)25-9-3-4-11-27(25)29-17-22(12-14-28(26)29)20-6-5-7-21(16-20)23-13-15-30-31(18-23)33-19-32-30;1-2-8-23-21(6-1)22-7-3-4-9-24(22)26-16-19(12-14-25(23)26)27-10-5-11-28(32-27)20-13-15-29-30(17-20)33-18-31-29/h1-30H;1-26H;2*2-20H,1H3;2-19H,1H3;3*1-19H;1-18H |
| InChIKey | MCTDXSRTQRVNSN-UHFFFAOYSA-N |
| XLogP | 85.43 |
| TPSA | 221.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 334 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4313.31 |
| LogP ≤ 5 | 85.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |