C249H174N12O4 — CID 158626381
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine (PubChem CID 158626381) has the molecular formula C249H174N12O4 and a molecular weight of 3398.21 g/mol. Its IUPAC name is 4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine.
| Compound Name | 4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine |
|---|---|
| PubChem CID | 158626381 |
| Molecular Formula | C249H174N12O4 |
| Molecular Weight | 3398.21 g/mol |
| Exact Mass | 3395.38 |
| IUPAC Name | 4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine |
| SMILES | CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C66H45N3O.C63H47N3O.2C60H41N3O/c1-3-14-51(15-4-1)67(52-16-5-2-6-17-52)53-36-32-48(33-37-53)49-34-40-55(41-35-49)68(56-42-44-57(45-43-56)69-63-23-10-7-18-59(63)60-19-8-11-24-64(60)69)54-38-30-47(31-39-54)46-26-28-50(29-27-46)58-21-13-22-62-61-20-9-12-25-65(61)70-66(58)62;1-63(2)59-42-52(65(47-22-11-5-12-23-47)48-24-13-6-14-25-48)38-40-55(59)56-41-39-53(43-60(56)63)66(51-36-34-50(35-37-51)64(45-18-7-3-8-19-45)46-20-9-4-10-21-46)49-32-30-44(31-33-49)54-27-17-28-58-57-26-15-16-29-61(57)67-62(54)58;1-4-15-45(16-5-1)61(49-37-31-44(32-38-49)52-23-14-24-55-54-22-11-13-26-59(54)64-60(52)55)48-33-27-42(28-34-48)43-29-35-50(36-30-43)62(46-17-6-2-7-18-46)51-39-40-58-56(41-51)53-21-10-12-25-57(53)63(58)47-19-8-3-9-20-47;1-3-14-45(15-4-1)61(46-16-5-2-6-17-46)47-32-26-42(27-33-47)43-28-34-48(35-29-43)62(49-36-30-44(31-37-49)52-21-13-22-56-55-20-9-12-25-59(55)64-60(52)56)50-38-40-51(41-39-50)63-57-23-10-7-18-53(57)54-19-8-11-24-58(54)63/h1-45H;3-43H,1-2H3;2*1-41H |
| InChIKey | HYQHPVKLRLPQBS-UHFFFAOYSA-N |
| XLogP | 70.51 |
| TPSA | 96.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3398.21 |
| LogP ≤ 5 | 70.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |