C213H152N6O — CID 165083133
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 165083133) has the molecular formula C213H152N6O and a molecular weight of 2811.60 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
| Compound Name | N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 165083133 |
| Molecular Formula | C213H152N6O |
| Molecular Weight | 2811.60 g/mol |
| Exact Mass | 2809.20 |
| IUPAC Name | N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C75H52N2O.C72H54N2.C66H46N2/c1-75(2)68-25-12-9-21-62(68)63-43-42-59(48-69(63)75)76(58-40-34-54(35-41-58)61-23-15-24-65-64-22-11-14-27-73(64)78-74(61)65)57-38-32-52(33-39-57)51-28-30-53(31-29-51)60-20-10-13-26-70(60)77-71-44-36-55(49-16-5-3-6-17-49)46-66(71)67-47-56(37-45-72(67)77)50-18-7-4-8-19-50;1-71(2)64-24-14-11-22-58(64)60-39-37-55(45-66(60)71)73(56-38-40-61-59-23-12-15-25-65(59)72(3,4)67(61)46-56)54-35-31-50(32-36-54)49-27-29-51(30-28-49)57-21-13-16-26-68(57)74-69-41-33-52(47-17-7-5-8-18-47)43-62(69)63-44-53(34-42-70(63)74)48-19-9-6-10-20-48;1-5-17-47(18-6-1)50-35-41-56(42-36-50)67(57-43-37-51(38-44-57)48-19-7-2-8-20-48)58-45-39-52(40-46-58)49-31-33-55(34-32-49)59-25-13-14-28-62(59)68-63-29-15-26-60(53-21-9-3-10-22-53)65(63)66-61(27-16-30-64(66)68)54-23-11-4-12-24-54/h3-48H,1-2H3;5-46H,1-4H3;1-46H |
| InChIKey | VLGOESWDSHDWKZ-UHFFFAOYSA-N |
| XLogP | 58.58 |
| TPSA | 37.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 220 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2811.60 |
| LogP ≤ 5 | 58.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |