C192H115N5S12 — CID 159979274
9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine (PubChem CID 159979274) has the molecular formula C192H115N5S12 and a molecular weight of 2876.87 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine.
| Compound Name | 9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 159979274 |
| Molecular Formula | C192H115N5S12 |
| Molecular Weight | 2876.87 g/mol |
| Exact Mass | 2873.58 |
| IUPAC Name | 9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine |
| SMILES | Cc1c(-c2cccc3c2sc2ccccc23)c(C)c(-c2cccc3c2sc2ccccc23)c(C)c1-c1cccc2c1sc1ccccc12.c1cc(-n2c3ccccc3c3ccccc32)c2sc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-c2cccc3c2sc2ccccc23)c1.c1ccc2c(c1)sc1c(-c3cccc4c3sc3c(-c5cccc6c5sc5ccccc56)cccc34)cccc12.c1ccc2c(c1)sc1c(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cccc12 |
| InChI | InChI=1S/C45H30S3.C39H21N3S3.C36H22N2S.C36H20S3.C36H22S2/c1-25-40(34-19-10-16-31-28-13-4-7-22-37(28)46-43(31)34)26(2)42(36-21-12-18-33-30-15-6-9-24-39(30)48-45(33)36)27(3)41(25)35-20-11-17-32-29-14-5-8-23-38(29)47-44(32)35;1-4-19-31-22(10-1)25-13-7-16-28(34(25)43-31)37-40-38(29-17-8-14-26-23-11-2-5-20-32(23)44-35(26)29)42-39(41-37)30-18-9-15-27-24-12-3-6-21-33(24)45-36(27)30;1-5-17-29-23(11-1)24-12-2-6-18-30(24)37(29)33-21-9-15-27-28-16-10-22-34(36(28)39-35(27)33)38-31-19-7-3-13-25(31)26-14-4-8-20-32(26)38;1-3-19-31-21(9-1)23-11-5-13-25(33(23)37-31)27-15-7-17-29-30-18-8-16-28(36(30)39-35(27)29)26-14-6-12-24-22-10-2-4-20-32(22)38-34(24)26;1-3-13-25(29-17-9-19-31-27-15-5-7-21-33(27)37-35(29)31)23(11-1)24-12-2-4-14-26(24)30-18-10-20-32-28-16-6-8-22-34(28)38-36(30)32/h4-24H,1-3H3;1-21H;1-22H;1-20H;1-22H |
| InChIKey | OFNZSIJPIASKSL-UHFFFAOYSA-N |
| XLogP | 60.49 |
| TPSA | 48.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2876.87 |
| LogP ≤ 5 | 60.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |