4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline

C46H38N2O4S2 — CID 132520024

IUPAC4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4s3)cc2)cc1
InChIInChI=1S/C46H38N2O4S2/c1-49-39-21-13-35(14-22-39)47(36-15-23-40(50-2)24-16-36)33-9-5-31(6-10-33)43-29-45-46(53-43)30-44(54-45)32-7-11-34(12-8-32)48(37-17-25-41(51-3)26-18-37)38-19-27-42(52-4)28-20-38/h5-30H,1-4H3
InChIKeyOCUHOPDPBAVBGJ-UHFFFAOYSA-N
MW746.95 g/mol
LogP13.27
Rot. Bonds12

About 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline

4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 132520024) has the molecular formula C46H38N2O4S2 and a molecular weight of 746.95 g/mol. Its IUPAC name is 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID132520024
Molecular FormulaC46H38N2O4S2
Molecular Weight746.95 g/mol
Exact Mass746.23
IUPAC Name4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4s3)cc2)cc1
InChIInChI=1S/C46H38N2O4S2/c1-49-39-21-13-35(14-22-39)47(36-15-23-40(50-2)24-16-36)33-9-5-31(6-10-33)43-29-45-46(53-43)30-44(54-45)32-7-11-34(12-8-32)48(37-17-25-41(51-3)26-18-37)38-19-27-42(52-4)28-20-38/h5-30H,1-4H3
InChIKeyOCUHOPDPBAVBGJ-UHFFFAOYSA-N
XLogP13.27
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline with MolForge

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Related Compounds

Bis(4-methoxyphenyl)(5-{5-[bis(4-methoxyphenyl)amino](2-thienyl)}(2-thienyl))a mine
CID 12966102
4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 122480460
2',7'-Bis(bis(4-methoxyphenyl)amino)spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,9-fluorene]
CID 132938793
2,5-bis(2-ethylhexyl)-1,4-bis[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 135027076
4-[(E)-2-[5-[(E)-2-[(5Z)-4-isocyano-2,2-dimethyl-5-[1-(trifluoromethylsulfonyl)ethylidene]furan-3-yl]ethenyl]thieno[3,2-b]thiophen-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 58619326
2-[3-cyano-5-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[5-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
CID 89187724
4,4'-(2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis[N,N-bis(4-methoxyphenyl)aniline]
CID 102130343
N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
CID 134463566
N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
CID 134467274
4-[(E)-2-[5-[(E)-2-[5-[bis(trifluoromethylsulfonyl)methylidene]-4-isocyano-2,2-dimethylfuran-3-yl]ethenyl]thieno[3,2-b]thiophen-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 140502479
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
N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 159506969

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 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) is 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4sc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4s3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is OCUHOPDPBAVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2O4S2/c1-49-39-21-13-35(14-22-39)47(36-15-23-40(50-2)24-16-36)33-9-5-31(6-10-33)43-29-45-46(53-43)30-44(54-45)32-7-11-34(12-8-32)48(37-17-25-41(51-3)26-18-37)38-19-27-42(52-4)28-20-38/h5-30H,1-4H3.
What are the key properties of 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 746.95 g/mol, XLogP of 13.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thieno[3,2-b]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 132520024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).