4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline

C31H23NOS2 — CID 122480460

IUPAC4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
SMILESCOc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3ccsc23)cc1
InChIInChI=1S/C31H23NOS2/c1-33-27-18-14-22(15-19-27)29-30(35-28-20-21-34-31(28)29)23-12-16-26(17-13-23)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-21H,1H3
InChIKeyNZBMJXKYUQEONR-UHFFFAOYSA-N
MW489.67 g/mol
LogP9.78
Rot. Bonds6

About 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline

4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline (PubChem CID 122480460) has the molecular formula C31H23NOS2 and a molecular weight of 489.67 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
PubChem CID122480460
Molecular FormulaC31H23NOS2
Molecular Weight489.67 g/mol
Exact Mass489.12
IUPAC Name4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
SMILESCOc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3ccsc23)cc1
InChIInChI=1S/C31H23NOS2/c1-33-27-18-14-22(15-19-27)29-30(35-28-20-21-34-31(28)29)23-12-16-26(17-13-23)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-21H,1H3
InChIKeyNZBMJXKYUQEONR-UHFFFAOYSA-N
XLogP9.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.67
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline 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

4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
2,3,5,6-tetrafluoro-4-[5-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenol
CID 141704101
4-[2-bis(2,4,6-trimethylphenyl)boranyl-6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 132511295
4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 132520024
4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 132609878
4-(5'-bromo-[2,2'-bi-thiophen]-5-yl)-N,N-bis(4-methoxyphenyl)aniline
CID 137701153
4-[6-(4-methoxyphenyl)-2-[methoxy-(2,4,6-trimethylphenyl)boranyl]thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 168339100
4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methoxy-5-[4-(N-phenylanilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methoxythiophen-2-yl]-N,N-diphenylaniline
CID 102085950
2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline
CID 20603520
3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
CID 20603544
4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 20603553
4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]-N,N-diphenylaniline
CID 20603561

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline (CID 122480460) is 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline is COc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3ccsc23)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline?
The InChIKey is NZBMJXKYUQEONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NOS2/c1-33-27-18-14-22(15-19-27)29-30(35-28-20-21-34-31(28)29)23-12-16-26(17-13-23)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-21H,1H3.
What are the key properties of 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline?
4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline has a molecular weight of 489.67 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline is sourced from PubChem (CID 122480460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).