C135H84N6O6 — CID 163893650
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine (PubChem CID 163893650) has the molecular formula C135H84N6O6 and a molecular weight of 1886.19 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine.
| Compound Name | N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine |
|---|---|
| PubChem CID | 163893650 |
| Molecular Formula | C135H84N6O6 |
| Molecular Weight | 1886.19 g/mol |
| Exact Mass | 1884.65 |
| IUPAC Name | N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine |
| SMILES | c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1 |
| InChI | InChI=1S/3C45H28N2O2/c1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)48-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)49-45(46-39)32-13-5-2-6-14-32;1-3-10-32(11-4-1)45-46-39-27-24-31-20-18-30-19-21-33(28-38(30)42(31)44(39)49-45)29-22-25-35(26-23-29)47(34-12-5-2-6-13-34)40-16-9-15-37-36-14-7-8-17-41(36)48-43(37)40;1-3-10-32(11-4-1)45-46-38-27-24-31-20-18-30-19-21-33(28-37(30)42(31)44(38)49-45)29-22-25-35(26-23-29)47(34-12-5-2-6-13-34)39-15-9-17-41-43(39)36-14-7-8-16-40(36)48-41/h3*1-28H |
| InChIKey | QDSJONYYPHGTMX-UHFFFAOYSA-N |
| XLogP | 38.51 |
| TPSA | 127.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1886.19 |
| LogP ≤ 5 | 38.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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