C183H122N8O5 — CID 158931767
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 158931767) has the molecular formula C183H122N8O5 and a molecular weight of 2513.04 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
| Compound Name | N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
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| PubChem CID | 158931767 |
| Molecular Formula | C183H122N8O5 |
| Molecular Weight | 2513.04 g/mol |
| Exact Mass | 2510.95 |
| IUPAC Name | N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1 |
| InChI | InChI=1S/C48H34N2O.C45H28N2O2.2C45H30N2O/c1-48(2)42-16-10-9-15-39(42)40-27-26-38(30-43(40)48)50(36-23-19-32(20-24-36)31-11-5-3-6-12-31)37-25-21-33-17-18-34-22-28-44-46(45(34)41(33)29-37)51-47(49-44)35-13-7-4-8-14-35;1-3-9-29(10-4-1)30-17-21-34(22-18-30)47(36-24-25-38-37-13-7-8-14-41(37)48-42(38)28-36)35-23-19-31-15-16-32-20-26-40-44(43(32)39(31)27-35)49-45(46-40)33-11-5-2-6-12-33;1-4-12-31(13-5-1)32-22-26-37(27-23-32)47(42-19-11-10-18-39(42)33-14-6-2-7-15-33)38-28-24-34-20-21-35-25-29-41-44(43(35)40(34)30-38)48-45(46-41)36-16-8-3-9-17-36;1-4-11-31(12-5-1)33-21-25-38(26-22-33)47(39-18-10-17-37(29-39)32-13-6-2-7-14-32)40-27-23-34-19-20-35-24-28-42-44(43(35)41(34)30-40)48-45(46-42)36-15-8-3-9-16-36/h3-30H,1-2H3;1-28H;2*1-30H |
| InChIKey | JJDPHPRUZVRWQM-UHFFFAOYSA-N |
| XLogP | 51.29 |
| TPSA | 130.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2513.04 |
| LogP ≤ 5 | 51.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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