C254H224N10OS2 — CID 164948165
N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;2-N-[3-[3-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzofuran-3,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzothiophene-3,7-diamine (PubChem CID 164948165) has the molecular formula C254H224N10OS2 and a molecular weight of 3496.79 g/mol. Its IUPAC name is N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;2-N-[3-[3-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzofuran-3,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzothiophene-3,7-diamine.
| Compound Name | N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;2-N-[3-[3-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzofuran-3,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzothiophene-3,7-diamine |
|---|---|
| PubChem CID | 164948165 |
| Molecular Formula | C254H224N10OS2 |
| Molecular Weight | 3496.79 g/mol |
| Exact Mass | 3493.72 |
| IUPAC Name | N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;2-N-[3-[3-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzofuran-3,7-diamine;7-N-[4-(1-adamantyl)phenyl]-3-N,3-N,7-N-triphenyldibenzothiophene-3,7-diamine |
| SMILES | CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(C56CC7CC(CC(C7)C5)C6)c4)c3)cc21.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)cc2)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(c4ccccc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)ccc23)cc1 |
| InChI | InChI=1S/2C55H50N2.C52H44N2S.C46H40N2O.C46H40N2S/c1-54(2)52-33-48(56(44-17-6-3-7-18-44)45-19-8-4-9-20-45)24-26-50(52)51-27-25-49(34-53(51)54)57(46-21-10-5-11-22-46)47-23-13-15-42(32-47)41-14-12-16-43(31-41)55-35-38-28-39(36-55)30-40(29-38)37-55;1-54(2)52-33-48(56(44-14-8-4-9-15-44)45-16-10-5-11-17-45)26-28-50(52)51-29-27-49(34-53(51)54)57(46-22-18-42(19-23-46)41-12-6-3-7-13-41)47-24-20-43(21-25-47)55-35-38-30-39(36-55)32-40(31-38)37-55;1-3-9-42(10-4-1)53(46-25-19-41(20-26-46)52-33-36-29-37(34-52)31-38(30-36)35-52)44-21-15-39(16-22-44)40-17-23-45(24-18-40)54(43-11-5-2-6-12-43)47-27-28-51-49(32-47)48-13-7-8-14-50(48)55-51;2*1-4-10-36(11-5-1)47(37-12-6-2-7-13-37)40-20-22-42-43-23-21-41(28-45(43)49-44(42)27-40)48(38-14-8-3-9-15-38)39-18-16-35(17-19-39)46-29-32-24-33(30-46)26-34(25-32)31-46/h3-27,31-34,38-40H,28-30,35-37H2,1-2H3;3-29,33-34,38-40H,30-32,35-37H2,1-2H3;1-28,32,36-38H,29-31,33-35H2;2*1-23,27-28,32-34H,24-26,29-31H2 |
| InChIKey | ADXLPBIJIIUWJN-UHFFFAOYSA-N |
| XLogP | 71.72 |
| TPSA | 45.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 267 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3496.79 |
| LogP ≤ 5 | 71.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |