4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline

C32H31NS2 — CID 59682229

IUPAC4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C32H31NS2/c1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32/h7-22H,4-6H2,1-3H3
InChIKeySWYWEGBFUHOHRJ-UHFFFAOYSA-N
MW493.74 g/mol
LogP10.57
Rot. Bonds8

About 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline

4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline (PubChem CID 59682229) has the molecular formula C32H31NS2 and a molecular weight of 493.74 g/mol. Its IUPAC name is 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
PubChem CID59682229
Molecular FormulaC32H31NS2
Molecular Weight493.74 g/mol
Exact Mass493.19
IUPAC Name4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C32H31NS2/c1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32/h7-22H,4-6H2,1-3H3
InChIKeySWYWEGBFUHOHRJ-UHFFFAOYSA-N
XLogP10.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.74
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
CID 89216957
CID 89216957
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline (CID 59682229) is 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline is CCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.
What is the InChIKey of 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline?
The InChIKey is SWYWEGBFUHOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NS2/c1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32/h7-22H,4-6H2,1-3H3.
What are the key properties of 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline?
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline has a molecular weight of 493.74 g/mol, XLogP of 10.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 59682229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).