C356H272N10O10 — CID 158236804
1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine (PubChem CID 158236804) has the molecular formula C356H272N10O10 and a molecular weight of 4850.15 g/mol. Its IUPAC name is 1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine.
| Compound Name | 1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine |
|---|---|
| PubChem CID | 158236804 |
| Molecular Formula | C356H272N10O10 |
| Molecular Weight | 4850.15 g/mol |
| Exact Mass | 4846.11 |
| IUPAC Name | 1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine |
| SMILES | Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(-c7c(C)cccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4c(C)cccc4C)cccc23)cc1.Cc1ccc(N(c2ccc3ccc4c(N(c5ccccc5C)c5cccc6c5oc5c(-c7c(C)cccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4c(C)cccc4C)cccc23)cc1.Cc1cccc(C)c1-c1cccc2c1oc1c(N(c3ccc(C(C)C)cc3)c3ccc4ccc5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(-c8c(C)cccc8C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc(N(c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7c(C)cccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4c(C)cccc4C)cccc23)c1.Cc1cccc(N(c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C(C)C)cccc23)c1 |
| InChI | InChI=1S/C74H60N2O2.C72H56N2O2.3C70H52N2O2/c1-43(2)49-27-35-53(36-28-49)75(65-25-13-21-57-55-19-11-23-61(71(55)77-73(57)65)67-45(5)15-9-16-46(67)6)63-41-33-51-32-40-60-64(42-34-52-31-39-59(63)69(51)70(52)60)76(54-37-29-50(30-38-54)44(3)4)66-26-14-22-58-56-20-12-24-62(72(56)78-74(58)66)68-47(7)17-10-18-48(68)8;1-43(2)51-21-7-9-23-53(51)55-25-13-27-57-59-29-15-31-65(71(59)75-69(55)57)73(49-19-11-17-45(5)41-49)63-39-35-47-34-38-62-64(40-36-48-33-37-61(63)67(47)68(48)62)74(50-20-12-18-46(6)42-50)66-32-16-30-60-58-28-14-26-56(70(58)76-72(60)66)54-24-10-8-22-52(54)44(3)4;1-41-15-7-21-49(39-41)71(61-29-13-25-53-51-23-11-27-57(67(51)73-69(53)61)63-43(3)17-9-18-44(63)4)59-37-33-47-32-36-56-60(38-34-48-31-35-55(59)65(47)66(48)56)72(50-22-8-16-42(2)40-50)62-30-14-26-54-52-24-12-28-58(68(52)74-70(54)62)64-45(5)19-10-20-46(64)6;1-41-25-33-49(34-26-41)71(61-23-11-19-53-51-17-9-21-57(67(51)73-69(53)61)63-43(3)13-7-14-44(63)4)59-39-31-47-30-38-56-60(40-32-48-29-37-55(59)65(47)66(48)56)72(50-35-27-42(2)28-36-50)62-24-12-20-54-52-18-10-22-58(68(52)74-70(54)62)64-45(5)15-8-16-46(64)6;1-41-29-35-49(36-30-41)71(61-27-13-22-52-50-20-11-24-56(67(50)73-69(52)61)63-43(3)16-9-17-44(63)4)59-39-33-47-32-38-55-60(40-34-48-31-37-54(59)65(47)66(48)55)72(58-26-8-7-15-42(58)2)62-28-14-23-53-51-21-12-25-57(68(51)74-70(53)62)64-45(5)18-10-19-46(64)6/h9-44H,1-8H3;7-44H,1-6H3;3*7-40H,1-6H3 |
| InChIKey | GFBGQVJNMARWAX-UHFFFAOYSA-N |
| XLogP | 105.18 |
| TPSA | 163.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 376 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4850.15 |
| LogP ≤ 5 | 105.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |