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

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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).