C252H165N3O3 — CID 160665619
2-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;6-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-2-ylphenyl)anthracen-2-yl]quinoxaline;9-(3,5-diphenylphenyl)-2-methoxy-10-naphthalen-1-ylanthracene;10-(3,4-diphenylphenyl)-9-phenanthren-9-yl-2-phenoxyanthracene;9-phenanthren-9-yl-2-phenoxy-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 160665619) has the molecular formula C252H165N3O3 and a molecular weight of 3283.11 g/mol. Its IUPAC name is 2-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;6-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-2-ylphenyl)anthracen-2-yl]quinoxaline;9-(3,5-diphenylphenyl)-2-methoxy-10-naphthalen-1-ylanthracene;10-(3,4-diphenylphenyl)-9-phenanthren-9-yl-2-phenoxyanthracene;9-phenanthren-9-yl-2-phenoxy-10-[2-(4-phenylphenyl)phenyl]anthracene.
| Compound Name | 2-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;6-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-2-ylphenyl)anthracen-2-yl]quinoxaline;9-(3,5-diphenylphenyl)-2-methoxy-10-naphthalen-1-ylanthracene;10-(3,4-diphenylphenyl)-9-phenanthren-9-yl-2-phenoxyanthracene;9-phenanthren-9-yl-2-phenoxy-10-[2-(4-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 160665619 |
| Molecular Formula | C252H165N3O3 |
| Molecular Weight | 3283.11 g/mol |
| Exact Mass | 3280.29 |
| IUPAC Name | 2-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-1-ylphenyl)anthracen-2-yl]pyridine;6-[10-(10b,10c-dihydrofluoranthen-3-yl)-9-(4-naphthalen-2-ylphenyl)anthracen-2-yl]quinoxaline;9-(3,5-diphenylphenyl)-2-methoxy-10-naphthalen-1-ylanthracene;10-(3,4-diphenylphenyl)-9-phenanthren-9-yl-2-phenoxyanthracene;9-phenanthren-9-yl-2-phenoxy-10-[2-(4-phenylphenyl)phenyl]anthracene |
| SMILES | C1=CC2=C(c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5ccc6nccnc6c5)ccc34)C=CC3c4ccccc4C(=C1)C23.C1=CC2=C(c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccn5)ccc34)C=CC3c4ccccc4C(=C1)C23.COc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.c1ccc(Oc2ccc3c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1.c1ccc(Oc2ccc3c(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1 |
| InChI | InChI=1S/C54H34N2.2C52H34O.C51H33N.C43H30O/c1-2-9-36-30-37(21-18-33(36)8-1)34-16-19-35(20-17-34)52-43-12-5-6-13-44(43)54(47-26-25-46-41-11-4-3-10-40(41)42-14-7-15-45(47)53(42)46)48-24-22-38(31-49(48)52)39-23-27-50-51(32-39)56-29-28-55-50;1-4-16-35(17-5-1)42-30-28-38(33-48(42)36-18-6-2-7-19-36)51-45-26-14-15-27-46(45)52(50-34-40(29-31-47(50)51)53-39-21-8-3-9-22-39)49-32-37-20-10-11-23-41(37)43-24-12-13-25-44(43)49;1-3-15-35(16-4-1)36-27-29-37(30-28-36)41-20-9-12-24-45(41)51-46-25-13-14-26-47(46)52(50-34-40(31-32-48(50)51)53-39-18-5-2-6-19-39)49-33-38-17-7-8-21-42(38)43-22-10-11-23-44(43)49;1-2-13-36-32(11-1)12-9-18-37(36)33-22-24-34(25-23-33)49-41-16-5-6-17-42(41)51(46-27-26-35(31-47(46)49)48-21-7-8-30-52-48)45-29-28-44-39-15-4-3-14-38(39)40-19-10-20-43(45)50(40)44;1-44-35-23-24-40-41(28-35)42(34-26-32(29-13-4-2-5-14-29)25-33(27-34)30-15-6-3-7-16-30)38-20-10-11-21-39(38)43(40)37-22-12-18-31-17-8-9-19-36(31)37/h1-32,46,53H;2*1-34H;1-31,44,50H;2-28H,1H3 |
| InChIKey | RMGIFWXDPCGENW-UHFFFAOYSA-N |
| XLogP | 68.36 |
| TPSA | 66.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3283.11 |
| LogP ≤ 5 | 68.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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