C182H114N8O6S — CID 158718428
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 158718428) has the molecular formula C182H114N8O6S and a molecular weight of 2541.03 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
| Compound Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
|---|---|
| PubChem CID | 158718428 |
| Molecular Formula | C182H114N8O6S |
| Molecular Weight | 2541.03 g/mol |
| Exact Mass | 2538.86 |
| IUPAC Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
| SMILES | c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5ccc6nc(-c7ccc8ccccc8c7)oc6c5c4c3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc(-c7ccccc7-c7ccccc7)cc6)c6ccc7oc8ccccc8c7c6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5c4c3o2)cc1 |
| InChI | InChI=1S/C51H32N2O2.C49H32N2O.C43H26N2O2.C39H24N2OS/c1-3-11-33(12-4-1)41-15-7-8-16-42(41)34-21-25-38(26-22-34)53(40-28-30-48-45(32-40)43-17-9-10-18-47(43)54-48)39-27-23-35-19-20-36-24-29-46-50(49(36)44(35)31-39)55-51(52-46)37-13-5-2-6-14-37;1-3-10-33(11-4-1)36-22-26-42(27-23-36)51(43-17-9-16-40(31-43)34-12-5-2-6-13-34)44-28-24-37-19-20-38-25-29-46-48(47(38)45(37)32-44)52-49(50-46)41-21-18-35-14-7-8-15-39(35)30-41;1-2-10-30(11-3-1)43-44-37-23-20-29-18-17-28-19-21-31(25-35(28)41(29)42(37)47-43)45(38-15-8-12-27-9-4-5-13-33(27)38)32-22-24-40-36(26-32)34-14-6-7-16-39(34)46-40;1-3-9-27(10-4-1)39-40-34-22-18-26-16-15-25-17-19-29(23-33(25)37(26)38(34)42-39)41(28-11-5-2-6-12-28)30-20-21-32-31-13-7-8-14-35(31)43-36(32)24-30/h1-32H;1-32H;1-26H;1-24H |
| InChIKey | IJPNVBNYFWSWNE-UHFFFAOYSA-N |
| XLogP | 52.23 |
| TPSA | 143.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2541.03 |
| LogP ≤ 5 | 52.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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