2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene

C32H24S2 — CID 87597507

IUPAC2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene
SMILESCSc1cc2cc3ccccc3cc2cc1/C=C/c1cc2cc3ccccc3cc2cc1SC
InChIInChI=1S/C32H24S2/c1-33-31-19-29-15-23-9-5-3-7-21(23)13-27(29)17-25(31)11-12-26-18-28-14-22-8-4-6-10-24(22)16-30(28)20-32(26)34-2/h3-20H,1-2H3/b12-11+
InChIKeyPSIGMGRIKNMLCN-VAWYXSNFSA-N
MW472.68 g/mol
LogP9.91
Rot. Bonds4

About 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene

2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene (PubChem CID 87597507) has the molecular formula C32H24S2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene.

Molecular Properties

Compound Name2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene
PubChem CID87597507
Molecular FormulaC32H24S2
Molecular Weight472.68 g/mol
Exact Mass472.13
IUPAC Name2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene
SMILESCSc1cc2cc3ccccc3cc2cc1/C=C/c1cc2cc3ccccc3cc2cc1SC
InChIInChI=1S/C32H24S2/c1-33-31-19-29-15-23-9-5-3-7-21(23)13-27(29)17-25(31)11-12-26-18-28-14-22-8-4-6-10-24(22)16-30(28)20-32(26)34-2/h3-20H,1-2H3/b12-11+
InChIKeyPSIGMGRIKNMLCN-VAWYXSNFSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene?
The IUPAC name of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene (CID 87597507) is 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene.
What is the SMILES notation for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene?
The canonical SMILES for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene is CSc1cc2cc3ccccc3cc2cc1/C=C/c1cc2cc3ccccc3cc2cc1SC.
What is the InChIKey of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene?
The InChIKey is PSIGMGRIKNMLCN-VAWYXSNFSA-N. The full InChI is InChI=1S/C32H24S2/c1-33-31-19-29-15-23-9-5-3-7-21(23)13-27(29)17-25(31)11-12-26-18-28-14-22-8-4-6-10-24(22)16-30(28)20-32(26)34-2/h3-20H,1-2H3/b12-11+.
What are the key properties of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene?
2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene has a molecular weight of 472.68 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylanthracen-2-yl)ethenyl]anthracene is sourced from PubChem (CID 87597507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).