4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline

C30H27NS2 — CID 154532963

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCc3ccc(-c4cccs4)s3)cc2)cc1
InChIInChI=1S/C30H27NS2/c1-22-5-12-25(13-6-22)31(26-14-7-23(2)8-15-26)27-16-9-24(10-17-27)11-18-28-19-20-30(33-28)29-4-3-21-32-29/h3-10,12-17,19-21H,11,18H2,1-2H3
InChIKeyQCKGAXKAGRGOFY-UHFFFAOYSA-N
MW465.69 g/mol
LogP9.35
Rot. Bonds7

About 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline (PubChem CID 154532963) has the molecular formula C30H27NS2 and a molecular weight of 465.69 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline
PubChem CID154532963
Molecular FormulaC30H27NS2
Molecular Weight465.69 g/mol
Exact Mass465.16
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCc3ccc(-c4cccs4)s3)cc2)cc1
InChIInChI=1S/C30H27NS2/c1-22-5-12-25(13-6-22)31(26-14-7-23(2)8-15-26)27-16-9-24(10-17-27)11-18-28-19-20-30(33-28)29-4-3-21-32-29/h3-10,12-17,19-21H,11,18H2,1-2H3
InChIKeyQCKGAXKAGRGOFY-UHFFFAOYSA-N
XLogP9.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.69
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
CID 59863802
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 102055550
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
CID 100937102
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
2-(8-bromooctyl)-5-thiophen-2-ylthiophene
CID 11013746
2-(2-isothiocyanatoethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
CID 10268546
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline (CID 154532963) is 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(CCc3ccc(-c4cccs4)s3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline?
The InChIKey is QCKGAXKAGRGOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NS2/c1-22-5-12-25(13-6-22)31(26-14-7-23(2)8-15-26)27-16-9-24(10-17-27)11-18-28-19-20-30(33-28)29-4-3-21-32-29/h3-10,12-17,19-21H,11,18H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline has a molecular weight of 465.69 g/mol, XLogP of 9.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline is sourced from PubChem (CID 154532963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).