tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide

C182H247N5O22 — CID 162022784

IUPACtris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESC(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.CC.CC.CC.CC.CC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2C)cc1.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2C)cc1.CO
InChIInChI=1S/C35H43NO4.C34H41NO5.3C22H18.3C12H25NO4.5C2H6.CH4O/c1-4-5-6-35(37)36-21-22-38-23-24-39-25-26-40-34-19-15-31(16-20-34)13-17-33-18-14-32(27-29(33)3)12-11-30-9-7-28(2)8-10-30;1-3-4-5-34(37)35-20-21-38-22-23-39-24-25-40-33-18-12-29(13-19-33)8-14-31-15-9-30(26-27(31)2)7-6-28-10-16-32(36)17-11-28;3*1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;3*1-3-4-5-12(14)13-6-7-16-10-11-17-9-8-15-2;6*1-2/h7-20,27H,4-6,21-26H2,1-3H3,(H,36,37);6-19,26,36H,3-5,20-25H2,1-2H3,(H,35,37);3*1-18H;3*3-11H2,1-2H3,(H,13,14);5*1-2H3;2H,1H3/b12-11+,17-13+;7-6+,14-8+;3*13-11+,14-12+;;;;;;;;;
InChIKeyYUYSXQFPTIKDPN-VFQGMZJZSA-N
MW2856.99 g/mol
LogP39.86
Rot. Bonds82

About tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide

tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide (PubChem CID 162022784) has the molecular formula C182H247N5O22 and a molecular weight of 2856.99 g/mol. Its IUPAC name is tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Nametris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
PubChem CID162022784
Molecular FormulaC182H247N5O22
Molecular Weight2856.99 g/mol
Exact Mass2854.84
IUPAC Nametris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
SMILESC(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.CC.CC.CC.CC.CC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2C)cc1.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2C)cc1.CO
InChIInChI=1S/C35H43NO4.C34H41NO5.3C22H18.3C12H25NO4.5C2H6.CH4O/c1-4-5-6-35(37)36-21-22-38-23-24-39-25-26-40-34-19-15-31(16-20-34)13-17-33-18-14-32(27-29(33)3)12-11-30-9-7-28(2)8-10-30;1-3-4-5-34(37)35-20-21-38-22-23-39-24-25-40-33-18-12-29(13-19-33)8-14-31-15-9-30(26-27(31)2)7-6-28-10-16-32(36)17-11-28;3*1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;3*1-3-4-5-12(14)13-6-7-16-10-11-17-9-8-15-2;6*1-2/h7-20,27H,4-6,21-26H2,1-3H3,(H,36,37);6-19,26,36H,3-5,20-25H2,1-2H3,(H,35,37);3*1-18H;3*3-11H2,1-2H3,(H,13,14);5*1-2H3;2H,1H3/b12-11+,17-13+;7-6+,14-8+;3*13-11+,14-12+;;;;;;;;;
InChIKeyYUYSXQFPTIKDPN-VFQGMZJZSA-N
XLogP39.86
TPSA324.41 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds82
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.99
LogP ≤ 539.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide with MolForge

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Related Compounds

[2-acetyloxy-3-[hydroxy-[2-[2-[2-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxycarbonylamino]ethoxy]phosphoryl]oxypropyl] acetate
CID 134259652
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide
CID 91577594
N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869793
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 118245572
[5-[(E)-2-[4-[(4-hexoxyphenyl)diazenyl]phenyl]ethenyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[(E)-2-[4-[(4-methylphenyl)diazenyl]phenyl]ethenyl]phenyl]methanol
CID 88577881
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
4-[(E)-2-aminoethenyl]-N-[2-[2-[2-[2-(pentanoylamino)ethylperoxy]ethoxy]ethoxy]ethyl]benzamide
CID 170570417
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163

Frequently Asked Questions

What is the IUPAC name of tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide?
The IUPAC name of tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide (CID 162022784) is tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide.
What is the SMILES notation for tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide?
The canonical SMILES for tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide is C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1.CC.CC.CC.CC.CC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOC.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2C)cc1.CCCCC(=O)NCCOCCOCCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2C)cc1.CO.
What is the InChIKey of tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide?
The InChIKey is YUYSXQFPTIKDPN-VFQGMZJZSA-N. The full InChI is InChI=1S/C35H43NO4.C34H41NO5.3C22H18.3C12H25NO4.5C2H6.CH4O/c1-4-5-6-35(37)36-21-22-38-23-24-39-25-26-40-34-19-15-31(16-20-34)13-17-33-18-14-32(27-29(33)3)12-11-30-9-7-28(2)8-10-30;1-3-4-5-34(37)35-20-21-38-22-23-39-24-25-40-33-18-12-29(13-19-33)8-14-31-15-9-30(26-27(31)2)7-6-28-10-16-32(36)17-11-28;3*1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;3*1-3-4-5-12(14)13-6-7-16-10-11-17-9-8-15-2;6*1-2/h7-20,27H,4-6,21-26H2,1-3H3,(H,36,37);6-19,26,36H,3-5,20-25H2,1-2H3,(H,35,37);3*1-18H;3*3-11H2,1-2H3,(H,13,14);5*1-2H3;2H,1H3/b12-11+,17-13+;7-6+,14-8+;3*13-11+,14-12+;;;;;;;;;.
What are the key properties of tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide?
tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide has a molecular weight of 2856.99 g/mol, XLogP of 39.86, 82 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 162022784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).