C165H107N3O2 — CID 167566203
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine (PubChem CID 167566203) has the molecular formula C165H107N3O2 and a molecular weight of 2163.69 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine.
| Compound Name | N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine |
|---|---|
| PubChem CID | 167566203 |
| Molecular Formula | C165H107N3O2 |
| Molecular Weight | 2163.69 g/mol |
| Exact Mass | 2161.84 |
| IUPAC Name | N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2 |
| InChI | InChI=1S/C61H41N.2C52H33NO/c1-3-17-42(18-4-1)43-31-35-46(36-32-43)62(48-39-40-55-53-25-10-9-23-51(53)49-21-7-8-22-50(49)52-24-11-12-26-54(52)58(55)41-48)47-37-33-45(34-38-47)61(44-19-5-2-6-20-44)59-29-15-13-27-56(59)57-28-14-16-30-60(57)61;1-2-14-39-34(12-1)13-11-22-40(39)35-24-26-36(27-25-35)53(38-29-31-49-48-21-9-10-23-51(48)54-52(49)33-38)37-28-30-47-45-19-6-5-17-43(45)41-15-3-4-16-42(41)44-18-7-8-20-46(44)50(47)32-37;1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-41H;2*1-33H/b51-49-,52-50-,55-53-,58-54-;2*43-41-,44-42-,47-45-,50-46- |
| InChIKey | FHWJIKNJOJKAPE-NYXPVAJPSA-N |
| XLogP | 45.88 |
| TPSA | 36.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 170 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2163.69 |
| LogP ≤ 5 | 45.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |