C208H152N10 — CID 162228540
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 162228540) has the molecular formula C208H152N10 and a molecular weight of 2791.57 g/mol. Its IUPAC name is 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.
| Compound Name | 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 162228540 |
| Molecular Formula | C208H152N10 |
| Molecular Weight | 2791.57 g/mol |
| Exact Mass | 2789.22 |
| IUPAC Name | 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine |
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1 |
| InChI | InChI=1S/C76H59N3.C72H50N4.C60H43N3/c1-52-20-32-66(33-21-52)77(67-34-22-53(2)23-35-67)71-47-65(48-72(51-71)78(68-36-24-54(3)25-37-68)69-38-26-55(4)27-39-69)64-45-62(58-18-12-7-13-19-58)44-63(46-64)61-31-43-76-74(50-61)73-49-60(57-16-10-6-11-17-57)30-42-75(73)79(76)70-40-28-59(29-41-70)56-14-8-5-9-15-56;1-6-22-57(23-7-1)73(58-24-8-2-9-25-58)62-39-41-63(42-40-62)74(59-26-10-3-11-27-59)64-32-20-21-51(48-64)54-45-55(52-37-43-71-67(49-52)65-33-16-18-35-69(65)75(71)60-28-12-4-13-29-60)47-56(46-54)53-38-44-72-68(50-53)66-34-17-19-36-70(66)76(72)61-30-14-5-15-31-61;1-7-21-44(22-8-1)46-37-47(45-35-36-60-58(42-45)57-33-19-20-34-59(57)63(60)54-31-17-6-18-32-54)39-48(38-46)49-40-55(61(50-23-9-2-10-24-50)51-25-11-3-12-26-51)43-56(41-49)62(52-27-13-4-14-28-52)53-29-15-5-16-30-53/h5-51H,1-4H3;1-50H;1-43H |
| InChIKey | ZVCCEBLAGMBEAV-UHFFFAOYSA-N |
| XLogP | 57.84 |
| TPSA | 39.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 218 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2791.57 |
| LogP ≤ 5 | 57.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |