C123H142N4O7 — CID 158991707
(Z)-5-(4-cyclohexylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol (PubChem CID 158991707) has the molecular formula C123H142N4O7 and a molecular weight of 1788.51 g/mol. Its IUPAC name is (Z)-5-(4-cyclohexylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol.
| Compound Name | (Z)-5-(4-cyclohexylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol |
|---|---|
| PubChem CID | 158991707 |
| Molecular Formula | C123H142N4O7 |
| Molecular Weight | 1788.51 g/mol |
| Exact Mass | 1787.09 |
| IUPAC Name | (Z)-5-(4-cyclohexylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-prop-1-en-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol;(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol |
| SMILES | C=C(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C)CC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCNC3)C2)cc1)c1ccccc1 |
| InChI | InChI=1S/C32H38N2O3.C31H35NO2.C30H35NO.C30H34O/c35-21-4-7-30(25-5-2-1-3-6-25)31(26-8-12-28(36)13-9-26)27-10-14-29(15-11-27)37-22-20-34-19-17-32(24-34)16-18-33-23-32;1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26;1-23-10-12-27(13-11-23)30(29(9-6-22-32)26-7-4-3-5-8-26)28-16-14-24(15-17-28)25-18-20-31(2)21-19-25;1-23-14-16-27(17-15-23)30(29(13-8-22-31)26-11-6-3-7-12-26)28-20-18-25(19-21-28)24-9-4-2-5-10-24/h1-3,5-6,8-15,33,35-36H,4,7,16-24H2;3-5,7-8,10-17,25,33-34H,1,6,9,18-22H2,2H3;3-5,7-8,10-17,25,32H,6,9,18-22H2,1-2H3;3,6-7,11-12,14-21,24,31H,2,4-5,8-10,13,22H2,1H3/b31-30-;31-30+;2*30-29- |
| InChIKey | JQFXBXXLJNPPCU-CMSZEASXSA-N |
| XLogP | 26.33 |
| TPSA | 152.36 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1788.51 |
| LogP ≤ 5 | 26.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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