C312H190O7 — CID 159106970
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran;9-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 159106970) has the molecular formula C312H190O7 and a molecular weight of 4050.94 g/mol. Its IUPAC name is 9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran;9-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran.
| Compound Name | 9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran;9-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 159106970 |
| Molecular Formula | C312H190O7 |
| Molecular Weight | 4050.94 g/mol |
| Exact Mass | 4047.45 |
| IUPAC Name | 9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran;9-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)oc4ccc6ccccc6c45)c4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4cc6ccccc6cc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6ccccc6c45)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/5C46H28O.C42H26O.C40H24O/c1-3-13-34-30(10-1)12-9-19-36(34)45-39-17-7-5-15-37(39)44(38-16-6-8-18-40(38)45)32-22-20-29(21-23-32)33-24-26-41-43(28-33)47-42-27-25-31-11-2-4-14-35(31)46(41)42;1-2-13-30(14-3-1)44-36-18-8-10-20-38(36)45(39-21-11-9-19-37(39)44)41-27-33(26-32-15-5-6-16-34(32)41)31-22-24-40-43(28-31)47-42-25-23-29-12-4-7-17-35(29)46(40)42;1-2-13-30(14-3-1)44-36-18-8-10-20-38(36)45(39-21-11-9-19-37(39)44)33-26-31-15-5-6-16-34(31)41(27-33)32-22-24-40-43(28-32)47-42-25-23-29-12-4-7-17-35(29)46(40)42;1-2-10-29(11-3-1)45-38-14-6-8-16-40(38)46(41-17-9-7-15-39(41)45)36-21-20-32-24-33(18-19-34(32)25-36)35-22-23-37-42-26-30-12-4-5-13-31(30)27-44(42)47-43(37)28-35;1-2-12-29(13-3-1)45-37-18-8-10-20-39(37)46(40-21-11-9-19-38(40)45)41-25-24-33(34-16-6-7-17-35(34)41)32-22-23-36-42-26-30-14-4-5-15-31(30)27-44(42)47-43(36)28-32;1-2-11-29(12-3-1)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)30-20-18-27(19-21-30)31-22-24-37-39(26-31)43-38-25-23-28-10-4-5-13-32(28)42(37)38;1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-20-22-35-37(24-27)41-36-23-21-26-11-2-4-14-29(26)40(35)36/h5*1-28H;1-26H;1-24H |
| InChIKey | KDZVUCRGJPRTGQ-UHFFFAOYSA-N |
| XLogP | 89.58 |
| TPSA | 91.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 319 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4050.94 |
| LogP ≤ 5 | 89.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |