4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline

C41H42N2O4S2 — CID 146243247

IUPAC4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline
SMILESCOc1cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1Cc1c(OC)cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc1OC
InChIInChI=1S/C41H42N2O4S2/c1-42(2)30-13-9-26(10-14-30)38-17-19-40(48-38)28-21-34(44-5)32(35(22-28)45-6)25-33-36(46-7)23-29(24-37(33)47-8)41-20-18-39(49-41)27-11-15-31(16-12-27)43(3)4/h9-24H,25H2,1-8H3
InChIKeyNWILAYQNGVXTLE-UHFFFAOYSA-N
MW690.93 g/mol
LogP10.23
Rot. Bonds12

About 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline

4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline (PubChem CID 146243247) has the molecular formula C41H42N2O4S2 and a molecular weight of 690.93 g/mol. Its IUPAC name is 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline
PubChem CID146243247
Molecular FormulaC41H42N2O4S2
Molecular Weight690.93 g/mol
Exact Mass690.26
IUPAC Name4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline
SMILESCOc1cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1Cc1c(OC)cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc1OC
InChIInChI=1S/C41H42N2O4S2/c1-42(2)30-13-9-26(10-14-30)38-17-19-40(48-38)28-21-34(44-5)32(35(22-28)45-6)25-33-36(46-7)23-29(24-37(33)47-8)41-20-18-39(49-41)27-11-15-31(16-12-27)43(3)4/h9-24H,25H2,1-8H3
InChIKeyNWILAYQNGVXTLE-UHFFFAOYSA-N
XLogP10.23
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.93
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(2-decoxy-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 58825518
N-[4-[5-[5-(2-ethylhexoxy)-2-methoxy-4-(5-phenylthiophen-2-yl)phenyl]thiophen-2-yl]phenyl]-4-hexyl-N-(4-phenylphenyl)aniline
CID 58825935
(E)-3-[5-[4-[4-(2,4-dibutoxyphenyl)-N-[4-(2,4-dibutoxyphenyl)phenyl]anilino]phenyl]thiophen-2-yl]-2-methylprop-2-enenitrile
CID 89663937
4-[5-(4-Cyano-2,6-dimethoxyphenyl)-4-(dimethylamino)thiophen-2-yl]-3,5-dimethoxybenzonitrile
CID 89673971
4-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]thiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 89673973
5-[5-[4-Cyano-5-[4-(dimethylamino)-2,6-dimethoxyphenyl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-2-[4-(dimethylamino)-2,6-dimethoxyphenyl]thiophene-3-carbonitrile
CID 89673981
11-[4-[(E)-2-[5-[5-[(4-ethenylphenyl)methoxymethyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2-(2-methoxyethoxy)phenyl]-5,17-dimethyl-8,14,24,27,32,35-hexaoxa-1,11,21-triazatetracyclo[19.8.8.02,7.015,20]heptatriaconta-2(7),3,5,15(20),16,18-hexaene
CID 117882634
N-(4-ethenylphenyl)-5-[4-[5-(4-ethenyl-N-(4-phenylphenyl)anilino)thiophen-2-yl]-2,5-dioctoxyphenyl]-N-(4-phenylphenyl)thiophen-2-amine
CID 118302713
4-[5-(2,6-dimethoxy-4-methylphenyl)-3,4-dimethylthiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 118656616
4-[5-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 122634734
4-[5-[5-[5-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 123258319
4-[3-(Dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile
CID 123286655

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline (CID 146243247) is 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline is COc1cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1Cc1c(OC)cc(-c2ccc(-c3ccc(N(C)C)cc3)s2)cc1OC.
What is the InChIKey of 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline?
The InChIKey is NWILAYQNGVXTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2O4S2/c1-42(2)30-13-9-26(10-14-30)38-17-19-40(48-38)28-21-34(44-5)32(35(22-28)45-6)25-33-36(46-7)23-29(24-37(33)47-8)41-20-18-39(49-41)27-11-15-31(16-12-27)43(3)4/h9-24H,25H2,1-8H3.
What are the key properties of 4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline?
4-[5-[4-[[4-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 690.93 g/mol, XLogP of 10.23, 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-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxyphenyl]thiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 146243247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).