C220H140N4O4S4 — CID 158892408
N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine (PubChem CID 158892408) has the molecular formula C220H140N4O4S4 and a molecular weight of 3031.83 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine.
| Compound Name | N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine |
|---|---|
| PubChem CID | 158892408 |
| Molecular Formula | C220H140N4O4S4 |
| Molecular Weight | 3031.83 g/mol |
| Exact Mass | 3028.98 |
| IUPAC Name | N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-3-amine;N-dibenzothiophen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5c(cc34)-c3ccccc3C5(c3ccccc3)c3ccccc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3cc5c(cc34)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C6(c3ccccc3)c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/4C55H35NOS/c1-4-15-36(16-5-1)37-27-29-40(30-28-37)56(41-31-32-53-47(33-41)43-22-11-13-26-52(43)58-53)50-25-14-23-44-46-34-45-42-21-10-12-24-48(42)55(38-17-6-2-7-18-38,39-19-8-3-9-20-39)49(45)35-51(46)57-54(44)50;1-4-15-36(16-5-1)37-27-29-40(30-28-37)56(41-31-32-53-45(33-41)43-22-11-13-26-52(43)58-53)49-24-14-25-50-54(49)46-34-44-42-21-10-12-23-47(42)55(38-17-6-2-7-18-38,39-19-8-3-9-20-39)48(44)35-51(46)57-50;1-4-14-36(15-5-1)37-24-26-40(27-25-37)56(41-29-31-54-48(32-41)45-21-11-13-23-53(45)58-54)42-28-30-44-47-34-46-43-20-10-12-22-49(43)55(38-16-6-2-7-17-38,39-18-8-3-9-19-39)50(46)35-52(47)57-51(44)33-42;1-4-14-36(15-5-1)37-24-26-40(27-25-37)56(42-29-31-54-48(33-42)44-21-11-13-23-53(44)58-54)41-28-30-51-46(32-41)47-34-45-43-20-10-12-22-49(43)55(38-16-6-2-7-17-38,39-18-8-3-9-19-39)50(45)35-52(47)57-51/h4*1-35H |
| InChIKey | JEKCTMNPZFTFOG-UHFFFAOYSA-N |
| XLogP | 61.82 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3031.83 |
| LogP ≤ 5 | 61.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |