3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C31H22N2O2S — CID 122186253

IUPAC3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C31H22N2O2S/c32-31-29-28(22-13-17-26(18-14-22)35-24-9-5-2-6-10-24)20-36-30(29)27(19-33-31)21-11-15-25(16-12-21)34-23-7-3-1-4-8-23/h1-20H,(H2,32,33)
InChIKeyMRGGMXQUCMYMCG-UHFFFAOYSA-N
MW486.60 g/mol
LogP8.80
Rot. Bonds6

About 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186253) has the molecular formula C31H22N2O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186253
Molecular FormulaC31H22N2O2S
Molecular Weight486.60 g/mol
Exact Mass486.14
IUPAC Name3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C31H22N2O2S/c32-31-29-28(22-13-17-26(18-14-22)35-24-9-5-2-6-10-24)20-36-30(29)27(19-33-31)21-11-15-25(16-12-21)34-23-7-3-1-4-8-23/h1-20H,(H2,32,33)
InChIKeyMRGGMXQUCMYMCG-UHFFFAOYSA-N
XLogP8.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine 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 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186253) is 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is MRGGMXQUCMYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2S/c32-31-29-28(22-13-17-26(18-14-22)35-24-9-5-2-6-10-24)20-36-30(29)27(19-33-31)21-11-15-25(16-12-21)34-23-7-3-1-4-8-23/h1-20H,(H2,32,33).
What are the key properties of 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 486.60 g/mol, XLogP of 8.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).