C145H88N8S3 — CID 161216677
2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 161216677) has the molecular formula C145H88N8S3 and a molecular weight of 2038.56 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole.
| Compound Name | 2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole |
|---|---|
| PubChem CID | 161216677 |
| Molecular Formula | C145H88N8S3 |
| Molecular Weight | 2038.56 g/mol |
| Exact Mass | 2036.63 |
| IUPAC Name | 2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole |
| SMILES | c1cc(-n2c3ccccc3c3ccccc32)c2sc3c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cccc3c2c1.c1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3c2c1.c1ccc2c(c1)-c1ccccc1C2c1ccc2sc3c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cccc3c2c1 |
| InChI | InChI=1S/C49H30N2S.2C48H29N3S/c1-3-17-38-32(12-1)33-13-2-4-18-39(33)48(38)30-24-27-47-41(28-30)40-19-11-23-45(49(40)52-47)51-44-22-10-7-16-36(44)37-26-25-31(29-46(37)51)50-42-20-8-5-14-34(42)35-15-6-9-21-43(35)50;1-6-20-39-31(13-1)32-14-2-7-21-40(32)49(39)30-27-28-36-35-17-5-10-24-43(35)51(46(36)29-30)45-26-12-19-38-37-18-11-25-44(47(37)52-48(38)45)50-41-22-8-3-15-33(41)34-16-4-9-23-42(34)50;1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)31-24-26-37-36-16-3-8-20-42(36)50(46(37)29-31)30-25-27-47-39(28-30)38-17-11-23-45(48(38)52-47)51-43-21-9-4-14-34(43)35-15-5-10-22-44(35)51/h1-29,48H;2*1-29H |
| InChIKey | UWYPIKCHGHBMPP-UHFFFAOYSA-N |
| XLogP | 40.10 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.56 |
| LogP ≤ 5 | 40.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |