C278H172S7 — CID 159764501
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene (PubChem CID 159764501) has the molecular formula C278H172S7 and a molecular weight of 3736.90 g/mol. Its IUPAC name is 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene.
| Compound Name | 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene |
|---|---|
| PubChem CID | 159764501 |
| Molecular Formula | C278H172S7 |
| Molecular Weight | 3736.90 g/mol |
| Exact Mass | 3733.15 |
| IUPAC Name | 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cccc4c3sc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/3C42H26S.C40H24S.2C38H24S.C36H22S/c1-2-13-30-27(11-1)12-9-19-31(30)28-23-25-29(26-24-28)40-33-15-3-5-17-35(33)41(36-18-6-4-16-34(36)40)38-21-10-20-37-32-14-7-8-22-39(32)43-42(37)38;1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-33-13-3-5-15-35(33)41(36-16-6-4-14-34(36)40)38-18-9-17-37-32-12-7-8-19-39(32)43-42(37)38;1-2-13-27(14-3-1)28-25-26-36(30-16-5-4-15-29(28)30)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)38-23-12-22-37-31-17-10-11-24-39(31)43-42(37)38;1-2-13-26-25(12-1)24-36(28-15-4-3-14-27(26)28)39-32-19-7-5-17-30(32)38(31-18-6-8-20-33(31)39)35-22-11-21-34-29-16-9-10-23-37(29)41-40(34)35;1-2-12-25(13-3-1)26-14-10-15-27(24-26)36-29-17-4-6-19-31(29)37(32-20-7-5-18-30(32)36)34-22-11-21-33-28-16-8-9-23-35(28)39-38(33)34;1-2-11-25(12-3-1)26-21-23-27(24-22-26)36-29-14-4-6-16-31(29)37(32-17-7-5-15-30(32)36)34-19-10-18-33-28-13-8-9-20-35(28)39-38(33)34;1-2-13-24-23(11-1)12-9-19-26(24)34-27-15-3-5-17-29(27)35(30-18-6-4-16-28(30)34)32-21-10-20-31-25-14-7-8-22-33(25)37-36(31)32/h3*1-26H;1-24H;2*1-24H;1-22H |
| InChIKey | NFICTRMRWDAWHT-UHFFFAOYSA-N |
| XLogP | 83.12 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 285 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3736.90 |
| LogP ≤ 5 | 83.12 |
| 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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