(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate

C94H110Br2N4O8 — CID 158089218

IUPAC(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)C1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C34H42N2O5.C30H34BrNO2.C30H34BrNO/c1-34(2,3)41-33(39)36-21-19-35(20-22-36)23-25-40-30-17-13-28(14-18-30)32(27-11-15-29(38)16-12-27)31(10-7-24-37)26-8-5-4-6-9-26;1-32-20-5-9-27(32)19-22-34-28-17-13-25(14-18-28)30(24-11-15-26(31)16-12-24)29(10-6-21-33)23-7-3-2-4-8-23;1-22(2)32-19-18-27(21-32)23-10-12-25(13-11-23)30(26-14-16-28(31)17-15-26)29(9-6-20-33)24-7-4-3-5-8-24/h4-6,8-9,11-18,37-38H,7,10,19-25H2,1-3H3;2-4,7-8,11-18,27,33H,5-6,9-10,19-22H2,1H3;3-5,7-8,10-17,22,27,33H,6,9,18-21H2,1-2H3/b32-31-;30-29-;30-29+
InChIKeyFNWVGFRAUIVVGH-SOOWYJIASA-N
MW1583.74 g/mol
LogP20.48
Rot. Bonds28

About (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate

(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate (PubChem CID 158089218) has the molecular formula C94H110Br2N4O8 and a molecular weight of 1583.74 g/mol. Its IUPAC name is (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate
PubChem CID158089218
Molecular FormulaC94H110Br2N4O8
Molecular Weight1583.74 g/mol
Exact Mass1580.67
IUPAC Name(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)C1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C34H42N2O5.C30H34BrNO2.C30H34BrNO/c1-34(2,3)41-33(39)36-21-19-35(20-22-36)23-25-40-30-17-13-28(14-18-30)32(27-11-15-29(38)16-12-27)31(10-7-24-37)26-8-5-4-6-9-26;1-32-20-5-9-27(32)19-22-34-28-17-13-25(14-18-28)30(24-11-15-26(31)16-12-24)29(10-6-21-33)23-7-3-2-4-8-23;1-22(2)32-19-18-27(21-32)23-10-12-25(13-11-23)30(26-14-16-28(31)17-15-26)29(9-6-20-33)24-7-4-3-5-8-24/h4-6,8-9,11-18,37-38H,7,10,19-25H2,1-3H3;2-4,7-8,11-18,27,33H,5-6,9-10,19-22H2,1H3;3-5,7-8,10-17,22,27,33H,6,9,18-21H2,1-2H3/b32-31-;30-29-;30-29+
InChIKeyFNWVGFRAUIVVGH-SOOWYJIASA-N
XLogP20.48
TPSA138.64 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.74
LogP ≤ 520.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493021
tert-butyl (3aS)-2-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 138493153
(E)-5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-5-(4-bromophenyl)-4-phenylpent-4-en-1-ol;4-[(Z)-5-hydroxy-1-[4-[2-[(1R,2S,5S)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;4-[(Z)-5-hydroxy-1-[4-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 160883148
4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162670575
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol
CID 157236679
tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
CID 59373082
4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
CID 158843272
tert-butyl 2-[[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 121266750
4-[(Z)-1-[4-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162651623
4-[(E)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]cyclohexa-1,5-dien-1-yl]-2-phenylpent-1-enyl]phenol
CID 138492991
(E)-5-(4-nitrophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol
CID 138692063

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate (CID 158089218) is (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOc2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)C1.CN1CCCC1CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is FNWVGFRAUIVVGH-SOOWYJIASA-N. The full InChI is InChI=1S/C34H42N2O5.C30H34BrNO2.C30H34BrNO/c1-34(2,3)41-33(39)36-21-19-35(20-22-36)23-25-40-30-17-13-28(14-18-30)32(27-11-15-29(38)16-12-27)31(10-7-24-37)26-8-5-4-6-9-26;1-32-20-5-9-27(32)19-22-34-28-17-13-25(14-18-28)30(24-11-15-26(31)16-12-24)29(10-6-21-33)23-7-3-2-4-8-23;1-22(2)32-19-18-27(21-32)23-10-12-25(13-11-23)30(26-14-16-28(31)17-15-26)29(9-6-20-33)24-7-4-3-5-8-24/h4-6,8-9,11-18,37-38H,7,10,19-25H2,1-3H3;2-4,7-8,11-18,27,33H,5-6,9-10,19-22H2,1H3;3-5,7-8,10-17,22,27,33H,6,9,18-21H2,1-2H3/b32-31-;30-29-;30-29+.
What are the key properties of (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate?
(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 1583.74 g/mol, XLogP of 20.48, 28 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 158089218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).