ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate

C30H20O3S3 — CID 139204494

IUPACethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)cc2C1=O
InChIInChI=1S/C30H20O3S3/c1-2-33-30(32)28-27(18-7-4-3-5-8-18)20-11-10-19(17-21(20)29(28)31)22-12-13-25(35-22)26-15-14-24(36-26)23-9-6-16-34-23/h3-17H,2H2,1H3
InChIKeyIZIOVAGZIVQALV-UHFFFAOYSA-N
MW524.69 g/mol
LogP8.43
Rot. Bonds6

About ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate

ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate (PubChem CID 139204494) has the molecular formula C30H20O3S3 and a molecular weight of 524.69 g/mol. Its IUPAC name is ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate
PubChem CID139204494
Molecular FormulaC30H20O3S3
Molecular Weight524.69 g/mol
Exact Mass524.06
IUPAC Nameethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)cc2C1=O
InChIInChI=1S/C30H20O3S3/c1-2-33-30(32)28-27(18-7-4-3-5-8-18)20-11-10-19(17-21(20)29(28)31)22-12-13-25(35-22)26-15-14-24(36-26)23-9-6-16-34-23/h3-17H,2H2,1H3
InChIKeyIZIOVAGZIVQALV-UHFFFAOYSA-N
XLogP8.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate 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

ethyl 3-methylidene-1-phenyl-5-(5-thiophen-2-ylthiophen-2-yl)indene-2-carboxylate
CID 122212817
ethyl 3-oxo-1-phenyl-5-[4-(N-phenylanilino)phenyl]indene-2-carboxylate
CID 139201220
ethyl 5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3-methylidene-1-phenylindene-2-carboxylate
CID 122212818
ethyl 5-methyl-3-oxo-1-phenylindene-2-carboxylate;phenyl selenohypochlorite
CID 87708805
ethyl 5,6-dimethoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102411940
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
ethyl 4,5-bis(2,4-dimethylphenyl)-3-oxo-2-phenylcyclopenta-1,4-diene-1-carboxylate
CID 102235999
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 2-(3-methylbenzoyl)-3-phenylprop-2-enoate;ethyl 5-methyl-3-oxo-1-phenylindene-2-carboxylate
CID 69119436
ethyl 1-methylidene-3-phenylindene-2-carboxylate
CID 25050658
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate?
The IUPAC name of ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate (CID 139204494) is ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate.
What is the SMILES notation for ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate?
The canonical SMILES for ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate is CCOC(=O)C1=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)cc2C1=O.
What is the InChIKey of ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate?
The InChIKey is IZIOVAGZIVQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O3S3/c1-2-33-30(32)28-27(18-7-4-3-5-8-18)20-11-10-19(17-21(20)29(28)31)22-12-13-25(35-22)26-15-14-24(36-26)23-9-6-16-34-23/h3-17H,2H2,1H3.
What are the key properties of ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate?
ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate has a molecular weight of 524.69 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate is sourced from PubChem (CID 139204494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).