C150H105N3O3 — CID 159183519
N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 159183519) has the molecular formula C150H105N3O3 and a molecular weight of 1997.51 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine.
| Compound Name | N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine |
|---|---|
| PubChem CID | 159183519 |
| Molecular Formula | C150H105N3O3 |
| Molecular Weight | 1997.51 g/mol |
| Exact Mass | 1995.82 |
| IUPAC Name | N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine |
| SMILES | c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3)cc2)c2ccccc2)cc1 |
| InChI | InChI=1S/3C50H35NO/c1-5-16-38(17-6-1)48(39-18-7-2-8-19-39)49(40-20-9-3-10-21-40)41-30-28-36(29-31-41)37-32-34-43(35-33-37)51(42-22-11-4-12-23-42)45-25-15-27-47-50(45)44-24-13-14-26-46(44)52-47;1-5-15-38(16-6-1)49(39-17-7-2-8-18-39)50(40-19-9-3-10-20-40)41-27-25-36(26-28-41)37-29-31-43(32-30-37)51(42-21-11-4-12-22-42)44-33-34-48-46(35-44)45-23-13-14-24-47(45)52-48;1-5-15-38(16-6-1)49(39-17-7-2-8-18-39)50(40-19-9-3-10-20-40)41-27-25-36(26-28-41)37-29-31-43(32-30-37)51(42-21-11-4-12-22-42)44-33-34-46-45-23-13-14-24-47(45)52-48(46)35-44/h3*1-35H |
| InChIKey | KNEVMFAKYRPBAM-UHFFFAOYSA-N |
| XLogP | 41.19 |
| TPSA | 49.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1997.51 |
| LogP ≤ 5 | 41.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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