7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene

C22H18S4 — CID 70835830

IUPAC7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene
SMILESCC1Cc2cc(-c3ccc(-c4ccc(-c5cc6c(s5)C(C)C6)s4)s3)sc21
InChIInChI=1S/C22H18S4/c1-11-7-13-9-19(25-21(11)13)17-5-3-15(23-17)16-4-6-18(24-16)20-10-14-8-12(2)22(14)26-20/h3-6,9-12H,7-8H2,1-2H3
InChIKeyIONZGIDLKNNINM-UHFFFAOYSA-N
MW410.65 g/mol
LogP8.25
Rot. Bonds3

About 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene

7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene (PubChem CID 70835830) has the molecular formula C22H18S4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene.

Molecular Properties

Compound Name7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene
PubChem CID70835830
Molecular FormulaC22H18S4
Molecular Weight410.65 g/mol
Exact Mass410.03
IUPAC Name7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene
SMILESCC1Cc2cc(-c3ccc(-c4ccc(-c5cc6c(s5)C(C)C6)s4)s3)sc21
InChIInChI=1S/C22H18S4/c1-11-7-13-9-19(25-21(11)13)17-5-3-15(23-17)16-4-6-18(24-16)20-10-14-8-12(2)22(14)26-20/h3-6,9-12H,7-8H2,1-2H3
InChIKeyIONZGIDLKNNINM-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene 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 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene?
The IUPAC name of 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene (CID 70835830) is 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene.
What is the SMILES notation for 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene?
The canonical SMILES for 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene is CC1Cc2cc(-c3ccc(-c4ccc(-c5cc6c(s5)C(C)C6)s4)s3)sc21.
What is the InChIKey of 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene?
The InChIKey is IONZGIDLKNNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18S4/c1-11-7-13-9-19(25-21(11)13)17-5-3-15(23-17)16-4-6-18(24-16)20-10-14-8-12(2)22(14)26-20/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene?
7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene has a molecular weight of 410.65 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[5-[5-(7-methyl-2-thiabicyclo[3.2.0]hepta-1(5),3-dien-3-yl)thiophen-2-yl]thiophen-2-yl]-2-thiabicyclo[3.2.0]hepta-1(5),3-diene is sourced from PubChem (CID 70835830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).