C190H110N8O12 — CID 157275800
N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-naphtho[3,2-b][1]benzofuran-8-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(9-phenyldibenzofuran-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 157275800) has the molecular formula C190H110N8O12 and a molecular weight of 2697.01 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-naphtho[3,2-b][1]benzofuran-8-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(9-phenyldibenzofuran-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
| Compound Name | N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-naphtho[3,2-b][1]benzofuran-8-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(9-phenyldibenzofuran-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
|---|---|
| PubChem CID | 157275800 |
| Molecular Formula | C190H110N8O12 |
| Molecular Weight | 2697.01 g/mol |
| Exact Mass | 2694.82 |
| IUPAC Name | N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-naphtho[3,2-b][1]benzofuran-8-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(9-phenyldibenzofuran-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
| SMILES | c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8cccc(-c9ccccc9)c8c7c6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7cc8c(cc7c6)oc6ccccc68)c6ccc7oc8ccccc8c7c6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7c6oc6ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1 |
| InChI | InChI=1S/C51H30N2O3.C49H28N2O3.2C45H26N2O3/c1-3-10-31(11-4-1)38-15-9-17-46-49(38)42-29-36(24-27-45(42)54-46)53(37-23-25-40-39-14-7-8-16-44(39)55-47(40)30-37)35-22-20-32-18-19-33-21-26-43-50(48(33)41(32)28-35)56-51(52-43)34-12-5-2-6-13-34;1-2-8-31(9-3-1)49-50-42-22-18-30-15-14-29-16-19-35(27-39(29)47(30)48(42)54-49)51(36-21-23-45-41(28-36)38-11-5-6-12-43(38)52-45)34-20-17-32-25-40-37-10-4-7-13-44(37)53-46(40)26-33(32)24-34;1-2-9-29(10-3-1)45-46-37-23-20-28-18-17-27-19-21-30(25-35(27)42(28)44(37)50-45)47(31-22-24-41-36(26-31)33-12-5-6-15-39(33)48-41)38-14-8-13-34-32-11-4-7-16-40(32)49-43(34)38;1-2-9-29(10-3-1)45-46-36-23-20-28-18-17-27-19-21-30(25-34(27)42(28)44(36)50-45)47(31-22-24-40-35(26-31)32-11-4-6-14-38(32)48-40)37-13-8-16-41-43(37)33-12-5-7-15-39(33)49-41/h1-30H;1-28H;2*1-26H |
| InChIKey | AZBUZDKHSDNBEG-UHFFFAOYSA-N |
| XLogP | 55.10 |
| TPSA | 222.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2697.01 |
| LogP ≤ 5 | 55.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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