C184H114N8O7S — CID 157101557
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(3-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 (PubChem CID 157101557) has the molecular formula C184H114N8O7S and a molecular weight of 2581.05 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-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(3-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.
| Compound Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(3-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 |
|---|---|
| PubChem CID | 157101557 |
| Molecular Formula | C184H114N8O7S |
| Molecular Weight | 2581.05 g/mol |
| Exact Mass | 2578.85 |
| IUPAC Name | N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(3-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 |
| SMILES | c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccccc6-c6ccccc6-c6ccccc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cccc7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5c4c3o2)cc1 |
| InChI | InChI=1S/2C51H32N2O2.C43H26N2O2.C39H24N2OS/c1-3-12-33(13-4-1)37-16-11-17-38(30-37)41-18-7-9-20-46(41)53(40-27-28-43-42-19-8-10-21-47(42)54-48(43)32-40)39-26-24-34-22-23-35-25-29-45-50(49(35)44(34)31-39)55-51(52-45)36-14-5-2-6-15-36;1-3-13-33(14-4-1)39-17-7-8-18-40(39)41-19-9-11-21-46(41)53(38-28-29-43-42-20-10-12-22-47(42)54-48(43)32-38)37-27-25-34-23-24-35-26-30-45-50(49(35)44(34)31-37)55-51(52-45)36-15-5-2-6-16-36;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/h2*1-32H;1-26H;1-24H |
| InChIKey | AFUYWCSRLRNELZ-UHFFFAOYSA-N |
| XLogP | 52.97 |
| TPSA | 156.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2581.05 |
| LogP ≤ 5 | 52.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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