C236H272N14O14 — CID 157272572
(Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-[4-[3-(dimethylamino)cyclobutyl]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol (PubChem CID 157272572) has the molecular formula C236H272N14O14 and a molecular weight of 3528.86 g/mol. Its IUPAC name is (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-[4-[3-(dimethylamino)cyclobutyl]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol.
| Compound Name | (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-[4-[3-(dimethylamino)cyclobutyl]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol |
|---|---|
| PubChem CID | 157272572 |
| Molecular Formula | C236H272N14O14 |
| Molecular Weight | 3528.86 g/mol |
| Exact Mass | 3526.10 |
| IUPAC Name | (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-[4-[3-(dimethylamino)cyclobutyl]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol |
| SMILES | CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)CC1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CC(N(C)C)C3)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1.Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C)CC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(C2CN(C3CC3)C2)cc1)c1ccccc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCNC3)C2)cc1)c1ccccc1 |
| InChI | InChI=1S/C32H38N2O3.C31H38N2O.C30H35NO.C29H34N2O.C29H31NO2.C29H32O2.C28H31N3O3.C28H33N3O/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;1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26;1-22-11-13-25(14-12-22)30(29(10-7-19-32)24-8-5-4-6-9-24)26-17-15-23(16-18-26)27-20-28(21-27)31(2)3;1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31;31-18-4-7-28(22-5-2-1-3-6-22)29(24-12-16-27(32)17-13-24)23-10-8-21(9-11-23)25-19-30(20-25)26-14-15-26;30-21-7-12-28(24-10-5-2-6-11-24)29(26-17-19-27(31)20-18-26)25-15-13-23(14-16-25)22-8-3-1-4-9-22;1-29-17-19-30(20-18-29)25-13-9-23(10-14-25)28(24-11-15-26(16-12-24)31(33)34)27(8-5-21-32)22-6-3-2-4-7-22;1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h1-3,5-6,8-15,33,35-36H,4,7,16-24H2;4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3;4-6,8-9,11-18,27-28,32H,7,10,19-21H2,1-3H3;3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3;1-3,5-6,8-13,16-17,25-26,31-32H,4,7,14-15,18-20H2;2,5-6,10-11,13-20,22,30-31H,1,3-4,7-9,12,21H2;2-4,6-7,9-16,32H,5,8,17-21H2,1H3;2-4,6-7,9-16,32H,5,8,17-21,29H2,1H3/b2*31-30-;30-29-;29-28-;2*29-28+;28-27+;28-27- |
| InChIKey | AYSFAPJCXLHPMB-ZGVGXGNHSA-N |
| XLogP | 46.14 |
| TPSA | 348.59 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 264 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3528.86 |
| LogP ≤ 5 | 46.14 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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