C216H152N12 — CID 163923902
N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 163923902) has the molecular formula C216H152N12 and a molecular weight of 2915.68 g/mol. Its IUPAC name is N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
| Compound Name | N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine |
|---|---|
| PubChem CID | 163923902 |
| Molecular Formula | C216H152N12 |
| Molecular Weight | 2915.68 g/mol |
| Exact Mass | 2913.23 |
| IUPAC Name | N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1 |
| InChI | InChI=1S/C62H42N4.C54H38N2.C52H37N3.C48H35N3/c1-4-14-43(15-5-1)45-24-32-52(33-25-45)65(55-38-28-44-16-10-11-21-50(44)40-55)53-34-26-46(27-35-53)51-31-39-61-57(41-51)56-22-12-13-23-60(56)66(61)54-36-29-49(30-37-54)62-63-58(47-17-6-2-7-18-47)42-59(64-62)48-19-8-3-9-20-48;1-5-15-39(16-6-1)42-25-30-48(31-26-42)55(49-32-27-43(28-33-49)40-17-7-2-8-18-40)50-36-45(41-19-9-3-10-20-41)35-46(37-50)44-29-34-54-52(38-44)51-23-13-14-24-53(51)56(54)47-21-11-4-12-22-47;1-5-20-41(21-6-1)53(42-22-7-2-8-23-42)45-34-40(39-32-33-52-49(36-39)48-29-15-16-30-51(48)55(52)44-26-11-4-12-27-44)35-46(37-45)54(43-24-9-3-10-25-43)50-31-17-19-38-18-13-14-28-47(38)50;1-6-18-38(19-7-1)49(39-20-8-2-9-21-39)43-32-37(33-44(35-43)50(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-30-31-48-46(34-36)45-28-16-17-29-47(45)51(48)42-26-14-5-15-27-42/h1-42H;1-38H;1-37H;1-35H |
| InChIKey | RCUJOYDOWYDNOM-UHFFFAOYSA-N |
| XLogP | 59.39 |
| TPSA | 64.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2915.68 |
| LogP ≤ 5 | 59.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |