C368H222N2O13S6 — CID 159897379
1,7-bis[10-(furan-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(furan-3-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis(10-thiophen-2-ylanthracen-9-yl)dibenzofuran;1,7-bis(10-thiophen-3-ylanthracen-9-yl)dibenzofuran;9-phenyl-4-[10-[7-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole (PubChem CID 159897379) has the molecular formula C368H222N2O13S6 and a molecular weight of 5072.23 g/mol. Its IUPAC name is 1,7-bis[10-(furan-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(furan-3-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis(10-thiophen-2-ylanthracen-9-yl)dibenzofuran;1,7-bis(10-thiophen-3-ylanthracen-9-yl)dibenzofuran;9-phenyl-4-[10-[7-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole.
| Compound Name | 1,7-bis[10-(furan-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(furan-3-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis(10-thiophen-2-ylanthracen-9-yl)dibenzofuran;1,7-bis(10-thiophen-3-ylanthracen-9-yl)dibenzofuran;9-phenyl-4-[10-[7-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole |
|---|---|
| PubChem CID | 159897379 |
| Molecular Formula | C368H222N2O13S6 |
| Molecular Weight | 5072.23 g/mol |
| Exact Mass | 5067.51 |
| IUPAC Name | 1,7-bis[10-(furan-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(furan-3-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzofuran;1,7-bis(10-thiophen-2-ylanthracen-9-yl)dibenzofuran;1,7-bis(10-thiophen-3-ylanthracen-9-yl)dibenzofuran;9-phenyl-4-[10-[7-[10-(9-phenylcarbazol-4-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole |
| SMILES | Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccc(C)o6)c6ccccc56)c34)c3ccccc23)o1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccc(C)s6)c6ccccc56)c34)c3ccccc23)s1.c1cc(-c2c3ccccc3c(-c3ccoc3)c3ccccc23)c2c(c1)oc1cc(-c3c4ccccc4c(-c4ccoc4)c4ccccc34)ccc12.c1cc(-c2c3ccccc3c(-c3ccsc3)c3ccccc23)c2c(c1)oc1cc(-c3c4ccccc4c(-c4ccsc4)c4ccccc34)ccc12.c1ccc(-n2c3ccccc3c3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5cccc(-c7c8ccccc8c(-c8cccc9c8c8ccccc8n9-c8ccccc8)c8ccccc78)c56)c5ccccc45)cccc32)cc1.c1coc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccco6)c6ccccc56)c34)c3ccccc23)c1.c1csc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6cccs6)c6ccccc56)c34)c3ccccc23)c1 |
| InChI | InChI=1S/C76H46N2O.C50H32O3.C50H32OS2.2C48H28O3.2C48H28OS2/c1-3-22-48(23-4-1)77-64-39-17-15-34-58(64)74-61(36-19-41-66(74)77)71-52-28-9-7-26-50(52)70(51-27-8-10-29-53(51)71)47-44-45-60-69(46-47)79-68-43-21-38-63(76(60)68)73-56-32-13-11-30-54(56)72(55-31-12-14-33-57(55)73)62-37-20-42-67-75(62)59-35-16-18-40-65(59)78(67)49-24-5-2-6-25-49;1-29-22-26-43(51-29)48-36-16-7-3-12-32(36)46(33-13-4-8-17-37(33)48)31-24-25-40-45(28-31)53-42-21-11-20-41(50(40)42)47-34-14-5-9-18-38(34)49(44-27-23-30(2)52-44)39-19-10-6-15-35(39)47;1-29-22-26-44(52-29)49-36-16-7-3-12-32(36)46(33-13-4-8-17-37(33)49)31-24-25-40-43(28-31)51-42-21-11-20-41(48(40)42)47-34-14-5-9-18-38(34)50(45-27-23-30(2)53-45)39-19-10-6-15-35(39)47;1-5-16-34-30(12-1)44(31-13-2-6-17-35(31)46(34)40-22-10-26-49-40)29-24-25-38-43(28-29)51-42-21-9-20-39(48(38)42)45-32-14-3-7-18-36(32)47(41-23-11-27-50-41)37-19-8-4-15-33(37)45;1-3-12-34-32(10-1)44(33-11-2-4-13-35(33)45(34)30-22-24-49-27-30)29-20-21-40-43(26-29)51-42-19-9-18-41(48(40)42)47-38-16-7-5-14-36(38)46(31-23-25-50-28-31)37-15-6-8-17-39(37)47;1-5-16-34-30(12-1)44(31-13-2-6-17-35(31)47(34)42-22-10-26-50-42)29-24-25-38-41(28-29)49-40-21-9-20-39(46(38)40)45-32-14-3-7-18-36(32)48(43-23-11-27-51-43)37-19-8-4-15-33(37)45;1-3-12-34-32(10-1)44(33-11-2-4-13-35(33)45(34)30-22-24-50-27-30)29-20-21-40-43(26-29)49-42-19-9-18-41(48(40)42)47-38-16-7-5-14-36(38)46(31-23-25-51-28-31)37-15-6-8-17-39(37)47/h1-46H;2*3-28H,1-2H3;4*1-28H |
| InChIKey | NVNANTBVVVGUJC-UHFFFAOYSA-N |
| XLogP | 109.42 |
| TPSA | 180.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 389 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5072.23 |
| LogP ≤ 5 | 109.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |