C132H87N3 — CID 159418617
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 159418617) has the molecular formula C132H87N3 and a molecular weight of 1715.17 g/mol. Its IUPAC name is 9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole.
| Compound Name | 9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 159418617 |
| Molecular Formula | C132H87N3 |
| Molecular Weight | 1715.17 g/mol |
| Exact Mass | 1713.69 |
| IUPAC Name | 9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C50H33N.C44H29N.C38H25N/c1-2-13-34(14-3-1)35-25-27-36(28-26-35)37-29-31-38(32-30-37)49-43-19-4-6-21-45(43)50(46-22-7-5-20-44(46)49)39-15-12-16-40(33-39)51-47-23-10-8-17-41(47)42-18-9-11-24-48(42)51;1-2-13-30(14-3-1)31-25-27-32(28-26-31)43-37-19-4-6-21-39(37)44(40-22-7-5-20-38(40)43)33-15-12-16-34(29-33)45-41-23-10-8-17-35(41)36-18-9-11-24-42(36)45;1-2-13-26(14-3-1)37-31-19-4-6-21-33(31)38(34-22-7-5-20-32(34)37)27-15-12-16-28(25-27)39-35-23-10-8-17-29(35)30-18-9-11-24-36(30)39/h1-33H;1-29H;1-25H |
| InChIKey | LPMFVTZHDXXJHB-UHFFFAOYSA-N |
| XLogP | 36.27 |
| TPSA | 14.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 135 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1715.17 |
| LogP ≤ 5 | 36.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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