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

C31H21NOS4 — CID 118274774

IUPACN-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(-c3cc4sccc4s3)cc2)c2ccc(-c3cc4sccc4s3)cc2)cc1
InChIInChI=1S/C31H21NOS4/c1-33-25-12-10-24(11-13-25)32(22-6-2-20(3-7-22)28-18-30-26(36-28)14-16-34-30)23-8-4-21(5-9-23)29-19-31-27(37-29)15-17-35-31/h2-19H,1H3
InChIKeyAQCBNUCXBUCINR-UHFFFAOYSA-N
MW551.78 g/mol
LogP11.05
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline (PubChem CID 118274774) has the molecular formula C31H21NOS4 and a molecular weight of 551.78 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
PubChem CID118274774
Molecular FormulaC31H21NOS4
Molecular Weight551.78 g/mol
Exact Mass551.05
IUPAC NameN-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(-c3cc4sccc4s3)cc2)c2ccc(-c3cc4sccc4s3)cc2)cc1
InChIInChI=1S/C31H21NOS4/c1-33-25-12-10-24(11-13-25)32(22-6-2-20(3-7-22)28-18-30-26(36-28)14-16-34-30)23-8-4-21(5-9-23)29-19-31-27(37-29)15-17-35-31/h2-19H,1H3
InChIKeyAQCBNUCXBUCINR-UHFFFAOYSA-N
XLogP11.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.78
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
5-naphthalen-2-ylthieno[3,2-b]thiophene
CID 134966612
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 122388645
N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline
CID 118283115
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N,N-bis(4-methoxyphenyl)-4-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)aniline
CID 102288216
3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
CID 169408874
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
CID 121305216

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline?
The IUPAC name of N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline (CID 118274774) is N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline?
The canonical SMILES for N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline is COc1ccc(N(c2ccc(-c3cc4sccc4s3)cc2)c2ccc(-c3cc4sccc4s3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline?
The InChIKey is AQCBNUCXBUCINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NOS4/c1-33-25-12-10-24(11-13-25)32(22-6-2-20(3-7-22)28-18-30-26(36-28)14-16-34-30)23-8-4-21(5-9-23)29-19-31-27(37-29)15-17-35-31/h2-19H,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline?
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline has a molecular weight of 551.78 g/mol, XLogP of 11.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline is sourced from PubChem (CID 118274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).