C327H211NO2S2 — CID 158307851
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene (PubChem CID 158307851) has the molecular formula C327H211NO2S2 and a molecular weight of 4250.42 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene |
|---|---|
| PubChem CID | 158307851 |
| Molecular Formula | C327H211NO2S2 |
| Molecular Weight | 4250.42 g/mol |
| Exact Mass | 4246.59 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)oc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12.c1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12 |
| InChI | InChI=1S/C42H28.2C36H24.C33H24.C30H19N.2C30H18O.2C30H18S.C30H20/c1-3-12-29(13-4-1)34-25-35(30-14-5-2-6-15-30)27-36(26-34)32-17-11-16-31(24-32)33-22-23-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)28-33;1-3-11-25(12-4-1)28-21-29(26-13-5-2-6-14-26)23-30(22-28)27-19-20-35-33-17-8-7-15-31(33)32-16-9-10-18-34(32)36(35)24-27;1-2-10-25(11-3-1)26-12-8-13-27(22-26)28-14-9-15-29(23-28)30-20-21-35-33-18-5-4-16-31(33)32-17-6-7-19-34(32)36(35)24-30;1-33(2)31-14-8-7-13-28(31)29-18-16-22(20-32(29)33)21-15-17-27-25-11-4-3-9-23(25)24-10-5-6-12-26(24)30(27)19-21;1-2-11-23-21(9-1)22-10-3-4-12-24(22)28-19-20(17-18-25(23)28)31-29-15-7-5-13-26(29)27-14-6-8-16-30(27)31;1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30;1-2-9-21(10-3-1)22-11-8-12-23(19-22)24-17-18-29-27-15-5-4-13-25(27)26-14-6-7-16-28(26)30(29)20-24/h1-28H;2*1-24H;3-20H,1-2H3;1-19H;4*1-18H;1-20H |
| InChIKey | GNHQJFHESQEIMD-UHFFFAOYSA-N |
| XLogP | 93.74 |
| TPSA | 31.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 332 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4250.42 |
| LogP ≤ 5 | 93.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |