4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine

C36H34N2O2S — CID 135027864

IUPAC4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine
SMILESc1ccc(-c2ccc(-c3sc(N4CCOCC4)c(-c4ccc(-c5ccccc5)cc4)c3N3CCOCC3)cc2)cc1
InChIInChI=1S/C36H34N2O2S/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-34(37-19-23-39-24-20-37)35(41-36(33)38-21-25-40-26-22-38)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-18H,19-26H2
InChIKeyINOYCENGMOOJGC-UHFFFAOYSA-N
MW558.75 g/mol
LogP8.09
Rot. Bonds6

About 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine

4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine (PubChem CID 135027864) has the molecular formula C36H34N2O2S and a molecular weight of 558.75 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine
PubChem CID135027864
Molecular FormulaC36H34N2O2S
Molecular Weight558.75 g/mol
Exact Mass558.23
IUPAC Name4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine
SMILESc1ccc(-c2ccc(-c3sc(N4CCOCC4)c(-c4ccc(-c5ccccc5)cc4)c3N3CCOCC3)cc2)cc1
InChIInChI=1S/C36H34N2O2S/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-34(37-19-23-39-24-20-37)35(41-36(33)38-21-25-40-26-22-38)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-18H,19-26H2
InChIKeyINOYCENGMOOJGC-UHFFFAOYSA-N
XLogP8.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.75
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine 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-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine?
The IUPAC name of 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine (CID 135027864) is 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine.
What is the SMILES notation for 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine?
The canonical SMILES for 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine is c1ccc(-c2ccc(-c3sc(N4CCOCC4)c(-c4ccc(-c5ccccc5)cc4)c3N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine?
The InChIKey is INOYCENGMOOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2O2S/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-34(37-19-23-39-24-20-37)35(41-36(33)38-21-25-40-26-22-38)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-18H,19-26H2.
What are the key properties of 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine?
4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine has a molecular weight of 558.75 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine is sourced from PubChem (CID 135027864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).