C188H128N6O9 — CID 160511447
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 160511447) has the molecular formula C188H128N6O9 and a molecular weight of 2615.12 g/mol. Its IUPAC name is 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
| Compound Name | 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine |
|---|---|
| PubChem CID | 160511447 |
| Molecular Formula | C188H128N6O9 |
| Molecular Weight | 2615.12 g/mol |
| Exact Mass | 2612.97 |
| IUPAC Name | 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine |
| SMILES | Cc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C)cccc23)cc1.Cc1cccc2c1oc1c(N(c3ccc4c(c3)oc3cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)c3ccccc3-c3ccccc3)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3cc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)cccc12 |
| InChI | InChI=1S/2C66H44N2O3.C56H40N2O3/c1-41-17-11-29-52-54-31-15-33-57(65(54)70-63(41)52)67(47-25-13-23-45(37-47)43-19-5-3-6-20-43)49-35-36-56-60(39-49)69-61-40-59(50-27-9-10-28-51(50)62(56)61)68(48-26-14-24-46(38-48)44-21-7-4-8-22-44)58-34-16-32-55-53-30-12-18-42(2)64(53)71-66(55)58;1-41-19-15-29-50-52-31-17-35-57(65(52)70-63(41)50)67(55-33-13-11-25-46(55)43-21-5-3-6-22-43)45-37-38-54-60(39-45)69-61-40-59(48-27-9-10-28-49(48)62(54)61)68(56-34-14-12-26-47(56)44-23-7-4-8-24-44)58-36-18-32-53-51-30-16-20-42(2)64(51)71-66(53)58;1-33-21-25-37(26-22-33)57(47-19-9-17-44-42-15-7-11-35(3)53(42)60-55(44)47)39-29-30-46-50(31-39)59-51-32-49(40-13-5-6-14-41(40)52(46)51)58(38-27-23-34(2)24-28-38)48-20-10-18-45-43-16-8-12-36(4)54(43)61-56(45)48/h2*3-40H,1-2H3;5-32H,1-4H3 |
| InChIKey | QTCCACDIGJENCU-UHFFFAOYSA-N |
| XLogP | 55.57 |
| TPSA | 137.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2615.12 |
| LogP ≤ 5 | 55.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |