C502H366N18 — CID 158494405
bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline);bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline);N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;N-(3,4-diphenylphenyl)-3,4-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline;N-(3,5-diphenylphenyl)-3,5-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline (PubChem CID 158494405) has the molecular formula C502H366N18 and a molecular weight of 6650.58 g/mol. Its IUPAC name is bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline);bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline);N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;N-(3,4-diphenylphenyl)-3,4-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline;N-(3,5-diphenylphenyl)-3,5-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline.
| Compound Name | bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline);bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline);N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;N-(3,4-diphenylphenyl)-3,4-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline;N-(3,5-diphenylphenyl)-3,5-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline |
|---|---|
| PubChem CID | 158494405 |
| Molecular Formula | C502H366N18 |
| Molecular Weight | 6650.58 g/mol |
| Exact Mass | 6644.92 |
| IUPAC Name | bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline);bis(N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline);N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;N-(3,4-diphenylphenyl)-3,4-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline;N-(3,5-diphenylphenyl)-3,5-diphenyl-N-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]aniline |
| SMILES | CC1(C)c2ccccc2N(c2cccc(-c3ccc(N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6Cc6ccccc65)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1 |
| InChI | InChI=1S/2C66H47N3.2C63H48N2.4C61H44N2/c1-6-21-48(22-7-1)54-41-55(49-23-8-2-9-24-49)45-61(44-54)67(62-46-56(50-25-10-3-11-26-50)42-57(47-62)51-27-12-4-13-28-51)59-39-37-52(38-40-59)53-29-20-32-60(43-53)69-65-35-18-16-33-63(65)68(58-30-14-5-15-31-58)64-34-17-19-36-66(64)69;1-6-21-49(22-7-1)59-43-41-57(46-61(59)51-25-10-3-11-26-51)67(58-42-44-60(50-23-8-2-9-24-50)62(47-58)52-27-12-4-13-28-52)55-39-37-48(38-40-55)53-29-20-32-56(45-53)69-65-35-18-16-33-63(65)68(54-30-14-5-15-31-54)64-34-17-19-36-66(64)69;1-63(2)59-30-15-17-32-61(59)65(62-33-18-16-31-60(62)63)56-29-19-28-50(40-56)49-34-36-55(37-35-49)64(57-41-51(45-20-7-3-8-21-45)38-52(42-57)46-22-9-4-10-23-46)58-43-53(47-24-11-5-12-25-47)39-54(44-58)48-26-13-6-14-27-48;1-63(2)59-30-15-17-32-61(59)65(62-33-18-16-31-60(62)63)52-29-19-28-50(42-52)45-34-36-51(37-35-45)64(53-38-40-55(46-20-7-3-8-21-46)57(43-53)48-24-11-5-12-25-48)54-39-41-56(47-22-9-4-10-23-47)58(44-54)49-26-13-6-14-27-49;2*1-5-18-44(19-6-1)52-37-53(45-20-7-2-8-21-45)41-58(40-52)62(59-42-54(46-22-9-3-10-23-46)38-55(43-59)47-24-11-4-12-25-47)56-34-32-48(33-35-56)49-28-17-29-57(39-49)63-60-30-15-13-26-50(60)36-51-27-14-16-31-61(51)63;2*1-5-18-45(19-6-1)56-38-36-54(42-58(56)47-22-9-3-10-23-47)62(55-37-39-57(46-20-7-2-8-21-46)59(43-55)48-24-11-4-12-25-48)52-34-32-44(33-35-52)49-28-17-29-53(41-49)63-60-30-15-13-26-50(60)40-51-27-14-16-31-61(51)63/h2*1-47H;2*3-44H,1-2H3;2*1-35,37-43H,36H2;2*1-39,41-43H,40H2 |
| InChIKey | HJCFPAZPFCTVKE-UHFFFAOYSA-N |
| XLogP | 140.15 |
| TPSA | 58.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 74 |
| Heavy Atoms | 520 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6650.58 |
| LogP ≤ 5 | 140.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |