6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

C32H36S2 — CID 141406777

IUPAC6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCCCCC(CC)Cc1ccc2cc(/C=C/c3cc4ccccc4cc3SC)c(SC)cc2c1
InChIInChI=1S/C32H36S2/c1-5-7-10-23(6-2)17-24-13-14-27-20-29(32(34-4)22-30(27)18-24)16-15-28-19-25-11-8-9-12-26(25)21-31(28)33-3/h8-9,11-16,18-23H,5-7,10,17H2,1-4H3/b16-15+
InChIKeyVWQZSGADBXKSFO-FOCLMDBBSA-N
MW484.77 g/mol
LogP10.37
Rot. Bonds10

About 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (PubChem CID 141406777) has the molecular formula C32H36S2 and a molecular weight of 484.77 g/mol. Its IUPAC name is 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.

Molecular Properties

Compound Name6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
PubChem CID141406777
Molecular FormulaC32H36S2
Molecular Weight484.77 g/mol
Exact Mass484.23
IUPAC Name6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCCCCC(CC)Cc1ccc2cc(/C=C/c3cc4ccccc4cc3SC)c(SC)cc2c1
InChIInChI=1S/C32H36S2/c1-5-7-10-23(6-2)17-24-13-14-27-20-29(32(34-4)22-30(27)18-24)16-15-28-19-25-11-8-9-12-26(25)21-31(28)33-3/h8-9,11-16,18-23H,5-7,10,17H2,1-4H3/b16-15+
InChIKeyVWQZSGADBXKSFO-FOCLMDBBSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-ethylhexyl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 135189979
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
CID 145093989
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
2-(2-phenylheptyl)naphthalene
CID 174423017
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
CID 174443793

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The IUPAC name of 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (CID 141406777) is 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.
What is the SMILES notation for 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The canonical SMILES for 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is CCCCC(CC)Cc1ccc2cc(/C=C/c3cc4ccccc4cc3SC)c(SC)cc2c1.
What is the InChIKey of 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The InChIKey is VWQZSGADBXKSFO-FOCLMDBBSA-N. The full InChI is InChI=1S/C32H36S2/c1-5-7-10-23(6-2)17-24-13-14-27-20-29(32(34-4)22-30(27)18-24)16-15-28-19-25-11-8-9-12-26(25)21-31(28)33-3/h8-9,11-16,18-23H,5-7,10,17H2,1-4H3/b16-15+.
What are the key properties of 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene has a molecular weight of 484.77 g/mol, XLogP of 10.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is sourced from PubChem (CID 141406777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).