4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline

C35H42N2S2 — CID 101390044

IUPAC4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(C3=C(c4cc(-c5ccc(N(CC)CC)cc5)sc4C)CCC3)c(C)s2)cc1
InChIInChI=1S/C35H42N2S2/c1-7-36(8-2)28-18-14-26(15-19-28)34-22-32(24(5)38-34)30-12-11-13-31(30)33-23-35(39-25(33)6)27-16-20-29(21-17-27)37(9-3)10-4/h14-23H,7-13H2,1-6H3
InChIKeyHVZRVPKOATUSBF-UHFFFAOYSA-N
MW554.87 g/mol
LogP10.55
Rot. Bonds10

About 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline

4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline (PubChem CID 101390044) has the molecular formula C35H42N2S2 and a molecular weight of 554.87 g/mol. Its IUPAC name is 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline
PubChem CID101390044
Molecular FormulaC35H42N2S2
Molecular Weight554.87 g/mol
Exact Mass554.28
IUPAC Name4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cc(C3=C(c4cc(-c5ccc(N(CC)CC)cc5)sc4C)CCC3)c(C)s2)cc1
InChIInChI=1S/C35H42N2S2/c1-7-36(8-2)28-18-14-26(15-19-28)34-22-32(24(5)38-34)30-12-11-13-31(30)33-23-35(39-25(33)6)27-16-20-29(21-17-27)37(9-3)10-4/h14-23H,7-13H2,1-6H3
InChIKeyHVZRVPKOATUSBF-UHFFFAOYSA-N
XLogP10.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.87
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[5-methyl-4-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline
CID 102252305
4-[5-methyl-4-[2-[2-methyl-5-[4-(N-phenylanilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-N,N-diphenylaniline
CID 132501286
4-[4-[4-[2-[5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101457856
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline
CID 10563644
[4-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-[(3R)-3-phenyloxiran-2-yl]methanone
CID 170585384
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
2-[4-[5-methyl-4-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]cyclohexa-1,5-dien-1-yl]-2-oxoacetaldehyde
CID 170382229
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
N-[4-[4-[2-[2,4-dimethyl-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-methyl-3-[2-[2-methyl-6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-benzothiophen-3-yl]cyclopenten-1-yl]-1-benzothiophen-6-yl]phenyl]-N-(4-methylphenyl)aniline;molecular fluorine
CID 162110441

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline?
The IUPAC name of 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline (CID 101390044) is 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline.
What is the SMILES notation for 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline?
The canonical SMILES for 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2cc(C3=C(c4cc(-c5ccc(N(CC)CC)cc5)sc4C)CCC3)c(C)s2)cc1.
What is the InChIKey of 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline?
The InChIKey is HVZRVPKOATUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2S2/c1-7-36(8-2)28-18-14-26(15-19-28)34-22-32(24(5)38-34)30-12-11-13-31(30)33-23-35(39-25(33)6)27-16-20-29(21-17-27)37(9-3)10-4/h14-23H,7-13H2,1-6H3.
What are the key properties of 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline?
4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline has a molecular weight of 554.87 g/mol, XLogP of 10.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline is sourced from PubChem (CID 101390044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).