C256H281N11O15 — CID 159970224
2-[4-[2,5-dihexoxy-4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]-5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazole;N-[4-[2-[4-[2-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-phenylaniline;N-[4-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 159970224) has the molecular formula C256H281N11O15 and a molecular weight of 3752.13 g/mol. Its IUPAC name is 2-[4-[2,5-dihexoxy-4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]-5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazole;N-[4-[2-[4-[2-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-phenylaniline;N-[4-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline.
| Compound Name | 2-[4-[2,5-dihexoxy-4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]-5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazole;N-[4-[2-[4-[2-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-phenylaniline;N-[4-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline |
|---|---|
| PubChem CID | 159970224 |
| Molecular Formula | C256H281N11O15 |
| Molecular Weight | 3752.13 g/mol |
| Exact Mass | 3749.16 |
| IUPAC Name | 2-[4-[2,5-dihexoxy-4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenyl]-5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazole;N-[4-[2-[4-[2-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-phenylaniline;N-[4-[4-(N-[4-[4-[4-[5-[4-(2,5-dihexoxy-4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dihexoxyphenyl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline |
| SMILES | CCCCCCOc1cc(-c2ccc(-c3nnc(-c4ccc(-c5cc(OCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccc(C)cc9)cc8)cc7)cc6)cc5OCCCCCC)cc4)o3)cc2)c(OCCCCCC)cc1C.CCCCCCOc1cc(-c2ccc(-c3nnc(-c4ccc(-c5cc(OCCCCCC)c(-c6ccc(N(c7ccccc7)c7ccc(C=Cc8ccc(C=Cc9ccc(N(c%10ccccc%10)c%10ccc(C)cc%10)cc9)cc8)cc7)cc6)cc5OCCCCCC)cc4)o3)cc2)c(OCCCCCC)cc1C.CCCCCCOc1cc(-c2ccc(-c3nnc(-c4ccc(-c5cc(OCCCCCC)c(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccccc6)cc5OCCCCCC)cc4)o3)cc2)c(OCCCCCC)cc1C |
| InChI | InChI=1S/C98H104N4O5.C88H96N4O5.C70H81N3O5/c1-7-11-15-25-65-103-93-70-90(94(69-74(93)6)104-66-26-16-12-8-2)79-47-51-82(52-48-79)97-99-100-98(107-97)83-53-49-80(50-54-83)91-71-96(106-68-28-18-14-10-4)92(72-95(91)105-67-27-17-13-9-3)81-55-63-89(64-56-81)102(85-31-23-20-24-32-85)88-61-45-78(46-62-88)42-40-76-37-35-75(36-38-76)39-41-77-43-59-87(60-44-77)101(84-29-21-19-22-30-84)86-57-33-73(5)34-58-86;1-7-11-15-25-57-93-83-62-80(84(61-66(83)6)94-58-26-16-12-8-2)69-35-39-72(40-36-69)87-89-90-88(97-87)73-41-37-70(38-42-73)81-63-86(96-60-28-18-14-10-4)82(64-85(81)95-59-27-17-13-9-3)71-47-55-79(56-48-71)92(75-31-23-20-24-32-75)78-53-45-68(46-54-78)67-43-51-77(52-44-67)91(74-29-21-19-22-30-74)76-49-33-65(5)34-50-76;1-7-11-15-22-40-74-65-47-58(66(45-51(65)6)75-41-23-16-12-8-2)52-29-33-54(34-30-52)69-71-72-70(78-69)55-35-31-53(32-36-55)59-48-68(77-43-25-18-14-10-4)60(49-67(59)76-42-24-17-13-9-3)56-37-39-64-62(46-56)61-44-50(5)28-38-63(61)73(64)57-26-20-19-21-27-57/h19-24,29-64,69-72H,7-18,25-28,65-68H2,1-6H3;19-24,29-56,61-64H,7-18,25-28,57-60H2,1-6H3;19-21,26-39,44-49H,7-18,22-25,40-43H2,1-6H3 |
| InChIKey | OELIJJOJNLNGFF-UHFFFAOYSA-N |
| XLogP | 73.56 |
| TPSA | 245.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 105 |
| Heavy Atoms | 282 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3752.13 |
| LogP ≤ 5 | 73.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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