C150H88N12O3S3 — CID 160814005
2-dibenzofuran-4-yl-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;2-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline (PubChem CID 160814005) has the molecular formula C150H88N12O3S3 and a molecular weight of 2202.64 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;2-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline.
| Compound Name | 2-dibenzofuran-4-yl-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;2-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline |
|---|---|
| PubChem CID | 160814005 |
| Molecular Formula | C150H88N12O3S3 |
| Molecular Weight | 2202.64 g/mol |
| Exact Mass | 2200.63 |
| IUPAC Name | 2-dibenzofuran-4-yl-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;2-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6ccc(-c7cccc8c7oc7ccccc78)cc6c6sc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc(-c6cccc7c6oc6ccccc67)cc5c5sc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5c(-c6cccc7c6oc6ccccc67)cccc5c5sc6ccccc6c45)c3)n2)cc1 |
| InChI | InChI=1S/C54H32N4OS.2C48H28N4OS/c1-3-12-33(13-4-1)34-22-26-37(27-23-34)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-35(25-29-38)49-48-43-17-8-10-21-47(43)60-51(48)44-32-39(30-31-45(44)55-49)40-18-11-19-42-41-16-7-9-20-46(41)59-50(40)42;1-3-14-29(15-4-1)46-50-47(30-16-5-2-6-17-30)52-48(51-46)32-19-11-18-31(28-32)42-41-37-21-8-10-27-40(37)54-45(41)38-25-12-22-34(43(38)49-42)36-24-13-23-35-33-20-7-9-26-39(33)53-44(35)36;1-3-12-30(13-4-1)46-50-47(31-14-5-2-6-15-31)52-48(51-46)32-24-22-29(23-25-32)43-42-37-17-8-10-21-41(37)54-45(42)38-28-33(26-27-39(38)49-43)34-18-11-19-36-35-16-7-9-20-40(35)53-44(34)36/h1-32H;2*1-28H |
| InChIKey | SEQZCKOGTQAMQC-UHFFFAOYSA-N |
| XLogP | 40.73 |
| TPSA | 194.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2202.64 |
| LogP ≤ 5 | 40.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |