C190H124N8O6S2 — CID 159586854
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (PubChem CID 159586854) has the molecular formula C190H124N8O6S2 and a molecular weight of 2679.27 g/mol. Its IUPAC name is 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.
| Compound Name | 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine |
|---|---|
| PubChem CID | 159586854 |
| Molecular Formula | C190H124N8O6S2 |
| Molecular Weight | 2679.27 g/mol |
| Exact Mass | 2676.91 |
| IUPAC Name | 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine |
| SMILES | c1ccc(-c2c(N(c3ccccc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc3c2oc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5cc6c7ccccc7oc6c6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1 |
| InChI | InChI=1S/C52H34N2O2.C46H30N2O2.2C46H30N2OS/c1-5-16-36(17-6-1)50-47(30-29-44-46-33-40(26-31-49(46)56-52(44)50)53(37-18-7-2-8-19-37)38-20-9-3-10-21-38)54(39-22-11-4-12-23-39)41-27-32-48-45(34-41)43-28-25-35-15-13-14-24-42(35)51(43)55-48;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-44-40(28-34)38-26-24-35(29-45(38)49-44)48(33-18-8-3-9-19-33)42-30-41-37-21-12-13-23-43(37)50-46(41)39-22-11-10-20-36(39)42;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-44(39)49-43)48(34-17-8-3-9-18-34)36-23-27-45-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-45;1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-34H;3*1-30H |
| InChIKey | MJSMLAZYBYNMIH-UHFFFAOYSA-N |
| XLogP | 56.92 |
| TPSA | 104.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2679.27 |
| LogP ≤ 5 | 56.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |