C266H164S7 — CID 158408767
3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene (PubChem CID 158408767) has the molecular formula C266H164S7 and a molecular weight of 3584.71 g/mol. Its IUPAC name is 3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene.
| Compound Name | 3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene |
|---|---|
| PubChem CID | 158408767 |
| Molecular Formula | C266H164S7 |
| Molecular Weight | 3584.71 g/mol |
| Exact Mass | 3581.09 |
| IUPAC Name | 3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C42H26S.C40H24S.C38H24S.2C36H22S.C32H20S/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)30-24-25-34-33-13-7-8-19-39(33)43-40(34)26-30;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-35-12-3-5-14-37(35)42(38-15-6-4-13-36(38)41)32-23-24-34-33-11-7-8-16-39(33)43-40(34)26-32;1-2-12-27-25(11-1)23-36(29-14-4-3-13-28(27)29)40-33-18-7-5-16-31(33)39(32-17-6-8-19-34(32)40)26-21-22-38-35(24-26)30-15-9-10-20-37(30)41-38;1-2-12-25(13-3-1)27-14-4-5-16-30(27)38-33-19-8-6-17-31(33)37(32-18-7-9-20-34(32)38)26-22-23-29-28-15-10-11-21-35(28)39-36(29)24-26;1-2-12-25-23(10-1)11-9-18-28(25)36-31-16-5-3-14-29(31)35(30-15-4-6-17-32(30)36)24-20-21-27-26-13-7-8-19-33(26)37-34(27)22-24;1-2-10-24-21-25(18-17-23(24)9-1)35-29-12-3-5-14-31(29)36(32-15-6-4-13-30(32)35)26-19-20-28-27-11-7-8-16-33(27)37-34(28)22-26;1-2-10-21(11-3-1)31-25-13-4-6-15-27(25)32(28-16-7-5-14-26(28)31)22-18-19-24-23-12-8-9-17-29(23)33-30(24)20-22/h2*1-26H;1-24H;1-24H;2*1-22H;1-20H |
| InChIKey | GZANRMIUACGVNO-UHFFFAOYSA-N |
| XLogP | 79.78 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 273 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3584.71 |
| LogP ≤ 5 | 79.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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