C142H96N4O — CID 157327843
9-(4-anthracen-9-ylphenyl)carbazole;9-(4-anthracen-9-ylphenyl)-3,6-dimethylcarbazole;4-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;9-[4-(10-methylanthracen-9-yl)phenyl]carbazole (PubChem CID 157327843) has the molecular formula C142H96N4O and a molecular weight of 1874.36 g/mol. Its IUPAC name is 9-(4-anthracen-9-ylphenyl)carbazole;9-(4-anthracen-9-ylphenyl)-3,6-dimethylcarbazole;4-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;9-[4-(10-methylanthracen-9-yl)phenyl]carbazole.
| Compound Name | 9-(4-anthracen-9-ylphenyl)carbazole;9-(4-anthracen-9-ylphenyl)-3,6-dimethylcarbazole;4-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;9-[4-(10-methylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157327843 |
| Molecular Formula | C142H96N4O |
| Molecular Weight | 1874.36 g/mol |
| Exact Mass | 1872.76 |
| IUPAC Name | 9-(4-anthracen-9-ylphenyl)carbazole;9-(4-anthracen-9-ylphenyl)-3,6-dimethylcarbazole;4-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;9-[4-(10-methylanthracen-9-yl)phenyl]carbazole |
| SMILES | Cc1c2ccccc2c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc12.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2c3ccccc3cc3ccccc23)cc1.c1cc(-c2ccncc2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc23)c1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3cc2c1 |
| InChI | InChI=1S/C43H27NO.C34H25N.C33H23N.C32H21N/c1-3-17-37-35(15-1)41(31-12-7-10-29(26-31)28-22-24-44-25-23-28)36-16-2-4-18-38(36)42(37)32-13-8-11-30(27-32)33-19-9-20-39-34-14-5-6-21-40(34)45-43(33)39;1-22-11-17-32-30(19-22)31-20-23(2)12-18-33(31)35(32)27-15-13-24(14-16-27)34-28-9-5-3-7-25(28)21-26-8-4-6-10-29(26)34;1-22-25-10-2-4-14-29(25)33(30-15-5-3-11-26(22)30)23-18-20-24(21-19-23)34-31-16-8-6-12-27(31)28-13-7-9-17-32(28)34;1-3-11-26-23(9-1)21-24-10-2-4-12-27(24)32(26)22-17-19-25(20-18-22)33-30-15-7-5-13-28(30)29-14-6-8-16-31(29)33/h1-27H;3-21H,1-2H3;2-21H,1H3;1-21H |
| InChIKey | BEYBHKNJAKOCPD-UHFFFAOYSA-N |
| XLogP | 39.15 |
| TPSA | 40.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 147 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1874.36 |
| LogP ≤ 5 | 39.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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