4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole

C23H18S4 — CID 15417471

IUPAC4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
SMILESCC1=CSC(=c2c3ccccc3c(=C3SC(C)=C(C)S3)c3ccccc23)S1
InChIInChI=1S/C23H18S4/c1-13-12-24-22(25-13)20-16-8-4-6-10-18(16)21(19-11-7-5-9-17(19)20)23-26-14(2)15(3)27-23/h4-12H,1-3H3
InChIKeyPALGOWXSAQLTJL-UHFFFAOYSA-N
MW422.67 g/mol
LogP7.20
Rot. Bonds

About 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole

4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole (PubChem CID 15417471) has the molecular formula C23H18S4 and a molecular weight of 422.67 g/mol. Its IUPAC name is 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole.

Molecular Properties

Compound Name4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
PubChem CID15417471
Molecular FormulaC23H18S4
Molecular Weight422.67 g/mol
Exact Mass422.03
IUPAC Name4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
SMILESCC1=CSC(=c2c3ccccc3c(=C3SC(C)=C(C)S3)c3ccccc23)S1
InChIInChI=1S/C23H18S4/c1-13-12-24-22(25-13)20-16-8-4-6-10-18(16)21(19-11-7-5-9-17(19)20)23-26-14(2)15(3)27-23/h4-12H,1-3H3
InChIKeyPALGOWXSAQLTJL-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole 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 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole?
The IUPAC name of 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole (CID 15417471) is 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole.
What is the SMILES notation for 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole?
The canonical SMILES for 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole is CC1=CSC(=c2c3ccccc3c(=C3SC(C)=C(C)S3)c3ccccc23)S1.
What is the InChIKey of 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole?
The InChIKey is PALGOWXSAQLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S4/c1-13-12-24-22(25-13)20-16-8-4-6-10-18(16)21(19-11-7-5-9-17(19)20)23-26-14(2)15(3)27-23/h4-12H,1-3H3.
What are the key properties of 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole?
4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole has a molecular weight of 422.67 g/mol, XLogP of 7.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole is sourced from PubChem (CID 15417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).