C200H176N8 — CID 158579064
1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 158579064) has the molecular formula C200H176N8 and a molecular weight of 2691.66 g/mol. Its IUPAC name is 1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.
| Compound Name | 1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine |
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| PubChem CID | 158579064 |
| Molecular Formula | C200H176N8 |
| Molecular Weight | 2691.66 g/mol |
| Exact Mass | 2689.40 |
| IUPAC Name | 1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine |
| SMILES | c1ccc(-c2ccc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5ccccc5c4)c4ccc(N5CCCCC5)cc34)c3ccccc23)cc1.c1ccc(-c2ccc3cc(-c4c5ccc(N6CCCCC6)cc5c(-c5ccc6ccccc6c5)c5ccc(N6CCCCC6)cc45)ccc3c2)cc1.c1ccc2cc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(N5CCCCC5)cc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccc(N6CCCCC6)cc5c(-c5ccc6ccccc6c5)c5ccc(N6CCCCC6)cc45)cc3)ccc2c1 |
| InChI | InChI=1S/4C50H44N2/c1-7-27-51(28-8-1)43-24-26-46-47(33-43)49(38-19-15-37(16-20-38)41-21-17-35-11-3-5-13-39(35)31-41)45-25-23-44(52-29-9-2-10-30-52)34-48(45)50(46)42-22-18-36-12-4-6-14-40(36)32-42;1-7-28-51(29-8-1)41-25-27-46-47(33-41)49(38-21-19-37(20-22-38)44-17-11-15-36-13-5-6-16-43(36)44)45-26-24-42(52-30-9-2-10-31-52)34-48(45)50(46)40-23-18-35-12-3-4-14-39(35)32-40;1-4-15-36(16-5-1)41-26-27-44(43-19-9-8-18-42(41)43)50-46-25-23-39(51-28-10-2-11-29-51)33-47(46)49(38-21-20-35-14-6-7-17-37(35)32-38)45-24-22-40(34-48(45)50)52-30-12-3-13-31-52;1-4-12-35(13-5-1)38-17-18-40-32-42(21-19-39(40)30-38)50-46-25-23-43(51-26-8-2-9-27-51)33-47(46)49(41-20-16-36-14-6-7-15-37(36)31-41)45-24-22-44(34-48(45)50)52-28-10-3-11-29-52/h3-6,11-26,31-34H,1-2,7-10,27-30H2;3-6,11-27,32-34H,1-2,7-10,28-31H2;1,4-9,14-27,32-34H,2-3,10-13,28-31H2;1,4-7,12-25,30-34H,2-3,8-11,26-29H2 |
| InChIKey | HTAHHKZFTHCFFP-UHFFFAOYSA-N |
| XLogP | 53.12 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2691.66 |
| LogP ≤ 5 | 53.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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