(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol

C92H108N8O6 — CID 159115330

IUPAC(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
SMILESCC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.O=[N+]([O-])c1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C32H38N2O2.C30H33N3O3.C30H37N3O/c35-24-6-11-31(25-7-2-1-3-8-25)32(27-14-18-30(36)19-15-27)26-12-16-29(17-13-26)34-22-20-33(21-23-34)28-9-4-5-10-28;34-22-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(15-11-25)33(35)36)24-8-12-26(13-9-24)31-18-20-32(21-19-31)27-16-17-27;1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h1-3,7-8,12-19,28,35-36H,4-6,9-11,20-24H2;1-3,5-6,8-15,27,34H,4,7,16-22H2;3-5,7-8,10-17,23,34H,6,9,18-22,31H2,1-2H3/b32-31+;30-29+;30-29-
InChIKeyKEZWJVVFEAIZEL-LTUPDZMVSA-N
MW1421.93 g/mol
LogP17.33
Rot. Bonds25

About (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol

(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol (PubChem CID 159115330) has the molecular formula C92H108N8O6 and a molecular weight of 1421.93 g/mol. Its IUPAC name is (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
PubChem CID159115330
Molecular FormulaC92H108N8O6
Molecular Weight1421.93 g/mol
Exact Mass1420.84
IUPAC Name(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
SMILESCC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.O=[N+]([O-])c1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C32H38N2O2.C30H33N3O3.C30H37N3O/c35-24-6-11-31(25-7-2-1-3-8-25)32(27-14-18-30(36)19-15-27)26-12-16-29(17-13-26)34-22-20-33(21-23-34)28-9-4-5-10-28;34-22-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(15-11-25)33(35)36)24-8-12-26(13-9-24)31-18-20-32(21-19-31)27-16-17-27;1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h1-3,7-8,12-19,28,35-36H,4-6,9-11,20-24H2;1-3,5-6,8-15,27,34H,4,7,16-22H2;3-5,7-8,10-17,23,34H,6,9,18-22,31H2,1-2H3/b32-31+;30-29+;30-29-
InChIKeyKEZWJVVFEAIZEL-LTUPDZMVSA-N
XLogP17.33
TPSA169.52 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.93
LogP ≤ 517.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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'}

Analyze (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol with MolForge

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Related Compounds

5-(4-nitrophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol
CID 176732336
4-[(E)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;dihydrochloride
CID 155567147
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
(E)-5-(4-nitrophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol
CID 138692063
(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
CID 157272572
[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 161019288
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
CID 155544192
4-[(Z)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]cyclohexa-2,4-dien-1-ol
CID 145430215
tert-butyl 7-[4-[(E)-5-hydroxy-1-(4-nitrophenyl)-2-phenylpent-1-enyl]phenyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;4-[4-[(E)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl]piperazine-1-carboximidamide;[4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenyl] cyclopropanesulfonate
CID 158625504
4-[(E)-5-hydroxy-1-(4-morpholin-4-ylphenyl)-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162664318
3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol
CID 158903140

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol?
The IUPAC name of (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol (CID 159115330) is (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol?
The canonical SMILES for (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol is CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.O=[N+]([O-])c1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccccc1.
What is the InChIKey of (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol?
The InChIKey is KEZWJVVFEAIZEL-LTUPDZMVSA-N. The full InChI is InChI=1S/C32H38N2O2.C30H33N3O3.C30H37N3O/c35-24-6-11-31(25-7-2-1-3-8-25)32(27-14-18-30(36)19-15-27)26-12-16-29(17-13-26)34-22-20-33(21-23-34)28-9-4-5-10-28;34-22-4-7-29(23-5-2-1-3-6-23)30(25-10-14-28(15-11-25)33(35)36)24-8-12-26(13-9-24)31-18-20-32(21-19-31)27-16-17-27;1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h1-3,7-8,12-19,28,35-36H,4-6,9-11,20-24H2;1-3,5-6,8-15,27,34H,4,7,16-22H2;3-5,7-8,10-17,23,34H,6,9,18-22,31H2,1-2H3/b32-31+;30-29+;30-29-.
What are the key properties of (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol?
(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol has a molecular weight of 1421.93 g/mol, XLogP of 17.33, 25 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 159115330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).