C224H160S6 — CID 157076089
3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene (PubChem CID 157076089) has the molecular formula C224H160S6 and a molecular weight of 3044.15 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene.
| Compound Name | 3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene |
|---|---|
| PubChem CID | 157076089 |
| Molecular Formula | C224H160S6 |
| Molecular Weight | 3044.15 g/mol |
| Exact Mass | 3041.08 |
| IUPAC Name | 3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6ccccc6)c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5cccc6ccccc56)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccccc5-c5ccccc5)ccc34)cc21 |
| InChI | InChI=1S/3C39H28S.2C37H26S.C33H24S/c1-39(2)35-15-9-8-14-31(35)32-19-16-26(22-36(32)39)27-17-20-33-34-21-18-28(24-38(34)40-37(33)23-27)30-13-7-6-12-29(30)25-10-4-3-5-11-25;1-39(2)35-14-7-6-13-31(35)32-18-15-28(22-36(32)39)30-17-20-34-33-19-16-29(23-37(33)40-38(34)24-30)27-12-8-11-26(21-27)25-9-4-3-5-10-25;1-39(2)35-11-7-6-10-31(35)32-19-16-28(22-36(32)39)30-18-21-34-33-20-17-29(23-37(33)40-38(34)24-30)27-14-12-26(13-15-27)25-8-4-3-5-9-25;1-37(2)33-13-6-5-11-29(33)30-17-14-24(20-34(30)37)25-15-18-31-32-19-16-26(22-36(32)38-35(31)21-25)28-12-7-9-23-8-3-4-10-27(23)28;1-37(2)33-10-6-5-9-29(33)30-16-13-26(20-34(30)37)28-15-18-32-31-17-14-27(21-35(31)38-36(32)22-28)25-12-11-23-7-3-4-8-24(23)19-25;1-33(2)29-11-7-6-10-25(29)26-15-12-22(18-30(26)33)24-14-17-28-27-16-13-23(21-8-4-3-5-9-21)19-31(27)34-32(28)20-24/h3*3-24H,1-2H3;2*3-22H,1-2H3;3-20H,1-2H3 |
| InChIKey | ACZLLFBVPJBBOV-UHFFFAOYSA-N |
| XLogP | 65.48 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 230 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3044.15 |
| LogP ≤ 5 | 65.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |