C265H307N7 — CID 159625126
N-[4-[4-(4-tert-butyl-N-[4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]anilino)phenyl]phenyl]-N-(4-tert-butylphenyl)-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]phenyl]-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-4-methylaniline (PubChem CID 159625126) has the molecular formula C265H307N7 and a molecular weight of 3590.42 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butyl-N-[4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]anilino)phenyl]phenyl]-N-(4-tert-butylphenyl)-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]phenyl]-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-4-methylaniline.
| Compound Name | N-[4-[4-(4-tert-butyl-N-[4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]anilino)phenyl]phenyl]-N-(4-tert-butylphenyl)-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]phenyl]-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-4-methylaniline |
|---|---|
| PubChem CID | 159625126 |
| Molecular Formula | C265H307N7 |
| Molecular Weight | 3590.42 g/mol |
| Exact Mass | 3587.42 |
| IUPAC Name | N-[4-[4-(4-tert-butyl-N-[4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]anilino)phenyl]phenyl]-N-(4-tert-butylphenyl)-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]phenyl]-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-4-methylaniline |
| SMILES | CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2c1ccc1c3cc(-c4ccccc4)ccc3n(-c3cc(CCCCCC)c(-c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(CCCC)cc6)cc5)cc4)cc3CCCCCC)c21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2cc3c(cc21)c1cc(-c2ccccc2)ccc1n3-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc3c(c21)c1cc(-c2ccccc2)ccc1n3-c1cc(CCCCCC)c(-c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(CCCC)cc4)cc3)cc2)cc1CCCCCC |
| InChI | InChI=1S/2C89H106N2.C87H95N3/c1-8-13-18-22-24-31-60-89(61-32-25-23-19-14-9-2)83-58-57-79-82-63-73(69-34-29-26-30-35-69)49-59-85(82)91(88(79)87(83)80-56-40-67(7)62-84(80)89)86-65-74(36-27-20-15-10-3)81(64-75(86)37-28-21-16-11-4)72-47-54-78(55-48-72)90(76-50-38-66(6)39-51-76)77-52-45-71(46-53-77)70-43-41-68(42-44-70)33-17-12-5;1-8-13-18-22-24-31-60-89(61-32-25-23-19-14-9-2)83-62-67(7)40-56-79(83)80-57-59-85-87(88(80)89)82-63-73(69-34-29-26-30-35-69)49-58-84(82)91(85)86-65-74(36-27-20-15-10-3)81(64-75(86)37-28-21-16-11-4)72-47-54-78(55-48-72)90(76-50-38-66(6)39-51-76)77-52-45-71(46-53-77)70-43-41-68(42-44-70)33-17-12-5;1-11-13-15-17-19-24-56-87(57-25-20-18-16-14-12-2)81-58-63(4)30-54-77(81)78-61-84-80(60-82(78)87)79-59-67(64-26-22-21-23-27-64)35-55-83(79)90(84)76-52-50-75(51-53-76)89(74-48-38-69(39-49-74)86(8,9)10)72-44-33-66(34-45-72)65-31-42-71(43-32-65)88(70-40-28-62(3)29-41-70)73-46-36-68(37-47-73)85(5,6)7/h2*26,29-30,34-35,38-59,62-65H,8-25,27-28,31-33,36-37,60-61H2,1-7H3;21-23,26-55,58-61H,11-20,24-25,56-57H2,1-10H3 |
| InChIKey | MOJSEFAKDUNTRZ-UHFFFAOYSA-N |
| XLogP | 80.49 |
| TPSA | 27.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 91 |
| Heavy Atoms | 272 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3590.42 |
| LogP ≤ 5 | 80.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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