2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene

C33H28S — CID 88860115

IUPAC2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
SMILESCCc1ccc(/C=C/c2ccc3cc4cc(/C=C/c5ccc(SC)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C33H28S/c1-3-24-4-6-25(7-5-24)8-10-27-12-16-29-23-32-21-28(13-17-30(32)22-31(29)20-27)11-9-26-14-18-33(34-2)19-15-26/h4-23H,3H2,1-2H3/b10-8+,11-9+
InChIKeyLMMCLXHFXHFYFZ-GFULKKFKSA-N
MW456.65 g/mol
LogP9.62
Rot. Bonds6

About 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene

2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene (PubChem CID 88860115) has the molecular formula C33H28S and a molecular weight of 456.65 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene.

Molecular Properties

Compound Name2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
PubChem CID88860115
Molecular FormulaC33H28S
Molecular Weight456.65 g/mol
Exact Mass456.19
IUPAC Name2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
SMILESCCc1ccc(/C=C/c2ccc3cc4cc(/C=C/c5ccc(SC)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C33H28S/c1-3-24-4-6-25(7-5-24)8-10-27-12-16-29-23-32-21-28(13-17-30(32)22-31(29)20-27)11-9-26-14-18-33(34-2)19-15-26/h4-23H,3H2,1-2H3/b10-8+,11-9+
InChIKeyLMMCLXHFXHFYFZ-GFULKKFKSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.65
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-methylsulfanylbenzene
CID 142218139
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
CID 72543299
1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 54419898
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
2-ethyl-6-[(1E)-3-methylbuta-1,3-dienyl]naphthalene
CID 145390100

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene?
The IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene (CID 88860115) is 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene.
What is the SMILES notation for 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene?
The canonical SMILES for 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene is CCc1ccc(/C=C/c2ccc3cc4cc(/C=C/c5ccc(SC)cc5)ccc4cc3c2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene?
The InChIKey is LMMCLXHFXHFYFZ-GFULKKFKSA-N. The full InChI is InChI=1S/C33H28S/c1-3-24-4-6-25(7-5-24)8-10-27-12-16-29-23-32-21-28(13-17-30(32)22-31(29)20-27)11-9-26-14-18-33(34-2)19-15-26/h4-23H,3H2,1-2H3/b10-8+,11-9+.
What are the key properties of 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene?
2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene has a molecular weight of 456.65 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene is sourced from PubChem (CID 88860115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).