C200H120O2S2Se4 — CID 157493186
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene (PubChem CID 157493186) has the molecular formula C200H120O2S2Se4 and a molecular weight of 2935.13 g/mol. Its IUPAC name is 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene.
| Compound Name | 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene |
|---|---|
| PubChem CID | 157493186 |
| Molecular Formula | C200H120O2S2Se4 |
| Molecular Weight | 2935.13 g/mol |
| Exact Mass | 2936.54 |
| IUPAC Name | 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3c(-c5c6ccccc6c(-c6ccco6)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3c(-c5c6ccccc6c(-c6cccs6)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3c(-c5c6ccccc6c(-c6ccoc6)c6ccccc56)cccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3c(-c5c6ccccc6c(-c6ccsc6)c6ccccc56)cccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/2C50H30OSe.2C50H30SSe/c1-2-14-31(15-3-1)46-34-16-4-6-18-36(34)47(37-19-7-5-17-35(37)46)32-27-28-33-42-24-12-25-43(50(42)52-45(33)30-32)48-38-20-8-10-22-40(38)49(44-26-13-29-51-44)41-23-11-9-21-39(41)48;1-2-13-31(14-3-1)46-35-15-4-6-17-37(35)47(38-18-7-5-16-36(38)46)32-25-26-34-43-23-12-24-44(50(43)52-45(34)29-32)49-41-21-10-8-19-39(41)48(33-27-28-51-30-33)40-20-9-11-22-42(40)49;1-2-14-31(15-3-1)46-34-16-4-6-18-36(34)47(37-19-7-5-17-35(37)46)32-27-28-33-42-24-12-25-43(50(42)52-45(33)30-32)48-38-20-8-10-22-40(38)49(44-26-13-29-51-44)41-23-11-9-21-39(41)48;1-2-13-31(14-3-1)46-35-15-4-6-17-37(35)47(38-18-7-5-16-36(38)46)32-25-26-34-43-23-12-24-44(50(43)52-45(34)29-32)49-41-21-10-8-19-39(41)48(33-27-28-51-30-33)40-20-9-11-22-42(40)49/h4*1-30H |
| InChIKey | BXNDXEGFSQNRQM-UHFFFAOYSA-N |
| XLogP | 56.63 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2935.13 |
| LogP ≤ 5 | 56.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|