1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene

C34H30 — CID 59221401

IUPAC1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
SMILESCCc1ccc(/C=C/c2ccc(C#Cc3ccc(/C=C/c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H30/c1-3-27-5-9-29(10-6-27)13-15-31-17-21-33(22-18-31)25-26-34-23-19-32(20-24-34)16-14-30-11-7-28(4-2)8-12-30/h5-24H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyQYWFCHVCXDIFDY-WXUKJITCSA-N
MW438.61 g/mol
LogP8.55
Rot. Bonds6

About 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene

1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene (PubChem CID 59221401) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
PubChem CID59221401
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
SMILESCCc1ccc(/C=C/c2ccc(C#Cc3ccc(/C=C/c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H30/c1-3-27-5-9-29(10-6-27)13-15-31-17-21-33(22-18-31)25-26-34-23-19-32(20-24-34)16-14-30-11-7-28(4-2)8-12-30/h5-24H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyQYWFCHVCXDIFDY-WXUKJITCSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-enyl]-4-[4-(4-ethylphenyl)buta-1,3-diynyl]benzene
CID 101248325
1-butyl-4-[2-[4-[2-[4-[2-(4-butylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 72534288
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222
(Z)-3-(4-ethylphenyl)prop-2-enenitrile
CID 56954563
bis[4-[2-(4-ethylphenyl)ethenyl]phenyl]-dimethylsilane
CID 72543241
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
5-[2-(4-ethylphenyl)ethynyl]pyrimidine
CID 44560634
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene (CID 59221401) is 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene is CCc1ccc(/C=C/c2ccc(C#Cc3ccc(/C=C/c4ccc(CC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?
The InChIKey is QYWFCHVCXDIFDY-WXUKJITCSA-N. The full InChI is InChI=1S/C34H30/c1-3-27-5-9-29(10-6-27)13-15-31-17-21-33(22-18-31)25-26-34-23-19-32(20-24-34)16-14-30-11-7-28(4-2)8-12-30/h5-24H,3-4H2,1-2H3/b15-13+,16-14+.
What are the key properties of 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene has a molecular weight of 438.61 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 59221401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).