C370H244O4S2 — CID 161341437
2,6-bis(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-yl-2-phenylanthracen-9-yl)dibenzofuran;2-(10-dibenzothiophen-2-yl-2-phenylanthracen-9-yl)dibenzothiophene;9,10-dinaphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-2-phenyl-9-(4-phenylphenyl)anthracene (PubChem CID 161341437) has the molecular formula C370H244O4S2 and a molecular weight of 4818.15 g/mol. Its IUPAC name is 2,6-bis(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-yl-2-phenylanthracen-9-yl)dibenzofuran;2-(10-dibenzothiophen-2-yl-2-phenylanthracen-9-yl)dibenzothiophene;9,10-dinaphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-2-phenyl-9-(4-phenylphenyl)anthracene.
| Compound Name | 2,6-bis(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-yl-2-phenylanthracen-9-yl)dibenzofuran;2-(10-dibenzothiophen-2-yl-2-phenylanthracen-9-yl)dibenzothiophene;9,10-dinaphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-2-phenyl-9-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 161341437 |
| Molecular Formula | C370H244O4S2 |
| Molecular Weight | 4818.15 g/mol |
| Exact Mass | 4813.83 |
| IUPAC Name | 2,6-bis(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-yl-2-phenylanthracen-9-yl)dibenzofuran;2-(10-dibenzothiophen-2-yl-2-phenylanthracen-9-yl)dibenzothiophene;9,10-dinaphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-2-phenyl-9-(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5ccccc5)cc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6ccccc6c5c4)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5sc6ccccc6c5c4)c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4cccc5c4oc4ccccc45)c4ccccc4c(-c4cccc5c4oc4ccccc45)c3c2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1 |
| InChI | InChI=1S/C66H48.C50H38.2C44H26O2.C44H26S2.C42H28.2C40H26/c1-65(2)59-23-12-10-20-50(59)55-37-47(31-35-61(55)65)45-30-34-54-57(39-45)63(44-27-25-42(26-28-44)41-15-6-5-7-16-41)53-33-29-46(40-58(53)64(54)52-22-14-18-43-17-8-9-19-49(43)52)48-32-36-62-56(38-48)51-21-11-13-24-60(51)66(62,3)4;1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34;1-2-12-27(13-3-1)28-24-25-33-38(26-28)42(37-21-11-19-35-30-15-7-9-23-40(30)46-44(35)37)32-17-5-4-16-31(32)41(33)36-20-10-18-34-29-14-6-8-22-39(29)45-43(34)36;2*1-2-10-27(11-3-1)28-18-21-35-38(24-28)44(30-20-23-42-37(26-30)32-13-7-9-17-40(32)46-42)34-15-5-4-14-33(34)43(35)29-19-22-41-36(25-29)31-12-6-8-16-39(31)45-41;1-3-12-29(13-4-1)31-22-24-33(25-23-31)41-37-19-9-10-20-38(37)42(36-21-11-17-32-16-7-8-18-35(32)36)39-27-26-34(28-40(39)41)30-14-5-2-6-15-30;1-2-10-27(11-3-1)32-22-23-37-38(26-32)40(34-21-19-29-13-5-7-15-31(29)25-34)36-17-9-8-16-35(36)39(37)33-20-18-28-12-4-6-14-30(28)24-33;1-2-11-27(12-3-1)31-23-24-37-38(26-31)39(32-22-21-28-13-4-5-15-30(28)25-32)35-18-8-9-19-36(35)40(37)34-20-10-16-29-14-6-7-17-33(29)34/h5-40H,1-4H3;5-30H,1-4H3;3*1-26H;1-28H;2*1-26H |
| InChIKey | VMSHULNIKYVTFV-UHFFFAOYSA-N |
| XLogP | 105.43 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 376 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4818.15 |
| LogP ≤ 5 | 105.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |