10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium

C26H18NS3+ — CID 101465009

IUPAC10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
SMILESC[n+]1c2ccccc2c(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c2ccccc21
InChIInChI=1S/C26H18NS3/c1-27-19-9-4-2-7-17(19)26(18-8-3-5-10-20(18)27)25-15-14-24(30-25)23-13-12-22(29-23)21-11-6-16-28-21/h2-16H,1H3/q+1
InChIKeyIJQIQTVRHXHQFK-UHFFFAOYSA-N
MW440.64 g/mol
LogP8.00
Rot. Bonds3

About 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium

10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium (PubChem CID 101465009) has the molecular formula C26H18NS3+ and a molecular weight of 440.64 g/mol. Its IUPAC name is 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium.

Molecular Properties

Compound Name10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
PubChem CID101465009
Molecular FormulaC26H18NS3+
Molecular Weight440.64 g/mol
Exact Mass440.06
IUPAC Name10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
SMILESC[n+]1c2ccccc2c(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c2ccccc21
InChIInChI=1S/C26H18NS3/c1-27-19-9-4-2-7-17(19)26(18-8-3-5-10-20(18)27)25-15-14-24(30-25)23-13-12-22(29-23)21-11-6-16-28-21/h2-16H,1H3/q+1
InChIKeyIJQIQTVRHXHQFK-UHFFFAOYSA-N
XLogP8.00
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium 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

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
CID 86235074
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
CID 122373287
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
CID 59403674
2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 129214307

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium?
The IUPAC name of 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium (CID 101465009) is 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium.
What is the SMILES notation for 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium?
The canonical SMILES for 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium is C[n+]1c2ccccc2c(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c2ccccc21.
What is the InChIKey of 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium?
The InChIKey is IJQIQTVRHXHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18NS3/c1-27-19-9-4-2-7-17(19)26(18-8-3-5-10-20(18)27)25-15-14-24(30-25)23-13-12-22(29-23)21-11-6-16-28-21/h2-16H,1H3/q+1.
What are the key properties of 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium?
10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium has a molecular weight of 440.64 g/mol, XLogP of 8.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium is sourced from PubChem (CID 101465009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).