C322H226 — CID 162099902
2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene (PubChem CID 162099902) has the molecular formula C322H226 and a molecular weight of 4095.35 g/mol. Its IUPAC name is 2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene.
| Compound Name | 2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene |
|---|---|
| PubChem CID | 162099902 |
| Molecular Formula | C322H226 |
| Molecular Weight | 4095.35 g/mol |
| Exact Mass | 4091.77 |
| IUPAC Name | 2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc21.Cc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5ccccc5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C42H28.C41H30.C40H26.C38H26.2C36H24.C32H22.C30H26.C27H20/c1-3-13-32(14-4-1)41-37-19-9-10-20-38(37)42(33-15-5-2-6-16-33)40-28-34(26-27-39(40)41)29-22-24-31(25-23-29)36-21-11-17-30-12-7-8-18-35(30)36;1-41(2)37-20-12-11-17-31(37)32-23-21-30(26-38(32)41)29-22-24-35-36(25-29)40(28-15-7-4-8-16-28)34-19-10-9-18-33(34)39(35)27-13-5-3-6-14-27;1-3-13-27(14-4-1)39-34-21-11-12-22-35(34)40(28-15-5-2-6-16-28)38-26-30(23-24-36(38)39)37-25-29-17-7-8-18-31(29)32-19-9-10-20-33(32)37;1-4-12-27(13-5-1)28-20-22-29(23-21-28)32-24-25-35-36(26-32)38(31-16-8-3-9-17-31)34-19-11-10-18-33(34)37(35)30-14-6-2-7-15-30;1-3-13-26(14-4-1)35-31-19-9-10-20-32(31)36(27-15-5-2-6-16-27)34-24-28(22-23-33(34)35)30-21-11-17-25-12-7-8-18-29(25)30;1-3-12-26(13-4-1)35-31-17-9-10-18-32(31)36(27-14-5-2-6-15-27)34-24-30(21-22-33(34)35)29-20-19-25-11-7-8-16-28(25)23-29;1-4-12-23(13-5-1)26-20-21-29-30(22-26)32(25-16-8-3-9-17-25)28-19-11-10-18-27(28)31(29)24-14-6-2-7-15-24;1-30(2,3)23-18-19-26-27(20-23)29(22-14-8-5-9-15-22)25-17-11-10-16-24(25)28(26)21-12-6-4-7-13-21;1-19-16-17-24-25(18-19)27(21-12-6-3-7-13-21)23-15-9-8-14-22(23)26(24)20-10-4-2-5-11-20/h1-28H;3-26H,1-2H3;1-26H;1-26H;2*1-24H;1-22H;4-20H,1-3H3;2-18H,1H3 |
| InChIKey | ZESXEALFTIMCJO-UHFFFAOYSA-N |
| XLogP | 90.62 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 27 |
| Heavy Atoms | 322 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4095.35 |
| LogP ≤ 5 | 90.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |