1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene

C44H38O3 — CID 141352185

IUPAC1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene
SMILESC(=C(CCOc1ccccc1-c1ccccc1)OC(=Cc1ccccc1)CCOc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38O3/c1-5-17-35(18-6-1)33-39(29-31-45-43-27-15-13-25-41(43)37-21-9-3-10-22-37)47-40(34-36-19-7-2-8-20-36)30-32-46-44-28-16-14-26-42(44)38-23-11-4-12-24-38/h1-28,33-34H,29-32H2
InChIKeyUIDOOXYAKIMUJL-UHFFFAOYSA-N
MW614.79 g/mol
LogP11.36
Rot. Bonds14

About 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene

1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene (PubChem CID 141352185) has the molecular formula C44H38O3 and a molecular weight of 614.79 g/mol. Its IUPAC name is 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene.

Molecular Properties

Compound Name1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene
PubChem CID141352185
Molecular FormulaC44H38O3
Molecular Weight614.79 g/mol
Exact Mass614.28
IUPAC Name1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene
SMILESC(=C(CCOc1ccccc1-c1ccccc1)OC(=Cc1ccccc1)CCOc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38O3/c1-5-17-35(18-6-1)33-39(29-31-45-43-27-15-13-25-41(43)37-21-9-3-10-22-37)47-40(34-36-19-7-2-8-20-36)30-32-46-44-28-16-14-26-42(44)38-23-11-4-12-24-38/h1-28,33-34H,29-32H2
InChIKeyUIDOOXYAKIMUJL-UHFFFAOYSA-N
XLogP11.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylphenoxy)propanethioamide
CID 7745595
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
1-but-3-enoxy-2-phenylbenzene
CID 154014031
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
N'-hydroxy-4-(2-phenylphenoxy)butanimidamide
CID 24695153
1-octadecoxy-2-phenylbenzene
CID 70983974
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
bis[12-(2-phenylphenoxy)dodecyl] (Z)-but-2-enedioate
CID 118941078
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene?
The IUPAC name of 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene (CID 141352185) is 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene.
What is the SMILES notation for 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene?
The canonical SMILES for 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene is C(=C(CCOc1ccccc1-c1ccccc1)OC(=Cc1ccccc1)CCOc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene?
The InChIKey is UIDOOXYAKIMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O3/c1-5-17-35(18-6-1)33-39(29-31-45-43-27-15-13-25-41(43)37-21-9-3-10-22-37)47-40(34-36-19-7-2-8-20-36)30-32-46-44-28-16-14-26-42(44)38-23-11-4-12-24-38/h1-28,33-34H,29-32H2.
What are the key properties of 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene?
1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene has a molecular weight of 614.79 g/mol, XLogP of 11.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-phenyl-3-[1-phenyl-4-(2-phenylphenoxy)but-1-en-2-yl]oxybut-3-enoxy]benzene is sourced from PubChem (CID 141352185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).