C256H188N8 — CID 158951002
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]aniline;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]aniline;4-[(E)-2-[4-[10-[4-[(E)-1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline (PubChem CID 158951002) has the molecular formula C256H188N8 and a molecular weight of 3376.38 g/mol. Its IUPAC name is 4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]aniline;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]aniline;4-[(E)-2-[4-[10-[4-[(E)-1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline.
| Compound Name | 4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]aniline;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]aniline;4-[(E)-2-[4-[10-[4-[(E)-1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 158951002 |
| Molecular Formula | C256H188N8 |
| Molecular Weight | 3376.38 g/mol |
| Exact Mass | 3373.50 |
| IUPAC Name | 4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline;N,N-diphenyl-4-[(E)-2-[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]aniline;N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]aniline;4-[(E)-2-[4-[10-[4-[(E)-1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline |
| SMILES | C(/C=C(\c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C(/c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=C/c1c2ccccc2c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=C/c1ccc(-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccccc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(/C(=C(\c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc5)cc4)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C90H64N2.C60H44N2.C54H40N2.C52H40N2/c1-9-29-65(30-10-1)85(87(67-33-13-3-14-34-67)71-57-61-79(62-58-71)91(75-37-17-5-18-38-75)76-39-19-6-20-40-76)69-49-53-73(54-50-69)89-81-45-25-27-47-83(81)90(84-48-28-26-46-82(84)89)74-55-51-70(52-56-74)86(66-31-11-2-12-32-66)88(68-35-15-4-16-36-68)72-59-63-80(64-60-72)92(77-41-21-7-22-42-77)78-43-23-8-24-44-78;1-5-17-49(18-6-1)61(50-19-7-2-8-20-50)53-39-31-45(32-40-53)29-35-47-37-43-59(57-27-15-13-25-55(47)57)60-44-38-48(56-26-14-16-28-58(56)60)36-30-46-33-41-54(42-34-46)62(51-21-9-3-10-22-51)52-23-11-4-12-24-52;1-5-17-43(18-6-1)55(44-19-7-2-8-20-44)47-35-29-41(30-36-47)33-39-53-49-25-13-15-27-51(49)54(52-28-16-14-26-50(52)53)40-34-42-31-37-48(38-32-42)56(45-21-9-3-10-22-45)46-23-11-4-12-24-46;1-7-19-41(20-8-1)51(43-31-35-49(36-32-43)53(45-23-11-3-12-24-45)46-25-13-4-14-26-46)39-40-52(42-21-9-2-10-22-42)44-33-37-50(38-34-44)54(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-64H;1-44H;1-40H;1-40H/b87-85+,88-86+;35-29+,36-30+;39-33+,40-34+;51-39+,52-40+ |
| InChIKey | JLKQPTPHXIUMHU-AOWXULIXSA-N |
| XLogP | 70.68 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 264 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3376.38 |
| LogP ≤ 5 | 70.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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