C112H74N2 — CID 157065974
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 157065974) has the molecular formula C112H74N2 and a molecular weight of 1447.84 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole.
| Compound Name | 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 157065974 |
| Molecular Formula | C112H74N2 |
| Molecular Weight | 1447.84 g/mol |
| Exact Mass | 1446.59 |
| IUPAC Name | 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)c7)ccc65)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)cc3)c2)cc1 |
| InChI | InChI=1S/2C56H37N/c1-3-14-38(15-4-1)40-26-28-41(29-27-40)55-48-21-7-9-23-50(48)56(51-24-10-8-22-49(51)55)42-30-33-46(34-31-42)57-53-25-12-11-20-47(53)52-37-45(32-35-54(52)57)44-19-13-18-43(36-44)39-16-5-2-6-17-39;1-3-16-38(17-4-1)41-20-15-21-42(36-41)43-32-35-54-52(37-43)46-23-13-14-29-53(46)57(54)44-33-30-40(31-34-44)55-48-25-9-11-27-50(48)56(51-28-12-10-26-49(51)55)47-24-8-7-22-45(47)39-18-5-2-6-19-39/h2*1-37H |
| InChIKey | ABWMFHUAMJLZII-UHFFFAOYSA-N |
| XLogP | 30.85 |
| TPSA | 9.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 114 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1447.84 |
| LogP ≤ 5 | 30.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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