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

C44H52N2O4S4 — CID 123258319

IUPAC4-[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
SMILESCOc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cc(N(C)C)cc5OC)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C44H52N2O4S4/c1-21-23(3)39(51-37(21)35-31(47-13)17-29(45(9)10)18-32(35)48-14)41-25(5)27(7)43(53-41)44-28(8)26(6)42(54-44)40-24(4)22(2)38(52-40)36-33(49-15)19-30(46(11)12)20-34(36)50-16/h17-20H,1-16H3
InChIKeyGWJMVQZHXAALAQ-UHFFFAOYSA-N
MW801.18 g/mol
LogP12.90
Rot. Bonds11

About 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

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 (PubChem CID 123258319) has the molecular formula C44H52N2O4S4 and a molecular weight of 801.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123258319
Molecular FormulaC44H52N2O4S4
Molecular Weight801.18 g/mol
Exact Mass800.28
IUPAC Name4-[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
SMILESCOc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cc(N(C)C)cc5OC)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C44H52N2O4S4/c1-21-23(3)39(51-37(21)35-31(47-13)17-29(45(9)10)18-32(35)48-14)41-25(5)27(7)43(53-41)44-28(8)26(6)42(54-44)40-24(4)22(2)38(52-40)36-33(49-15)19-30(46(11)12)20-34(36)50-16/h17-20H,1-16H3
InChIKeyGWJMVQZHXAALAQ-UHFFFAOYSA-N
XLogP12.90
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.18
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

(2E)-2-(1-cyanoethylidene)-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile
CID 68171073
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
(2Z)-2-(1-cyanoethylidene)-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-3-carbonitrile
CID 117891576
4-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-3,4-bis(2-methoxyethoxymethyl)thiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 118298818
4-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]thiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 118402286
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
2-[3-cyano-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanedinitrile
CID 122667070
2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine
CID 123522758
2-[4-(Dimethylamino)-2,6-dimethoxyphenyl]-5-[5-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-4-isocyanothiophen-2-yl]-3,4-dimethylthiophen-2-yl]thiophene-3-carbonitrile
CID 123764626
4-[5-[5-[5-[4-(dimethylamino)-2,6-dimethoxyphenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,5-dimethoxy-N,N-dimethylaniline
CID 123918744

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cc(N(C)C)cc5OC)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C.
What is the InChIKey of 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?
The InChIKey is GWJMVQZHXAALAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2O4S4/c1-21-23(3)39(51-37(21)35-31(47-13)17-29(45(9)10)18-32(35)48-14)41-25(5)27(7)43(53-41)44-28(8)26(6)42(54-44)40-24(4)22(2)38(52-40)36-33(49-15)19-30(46(11)12)20-34(36)50-16/h17-20H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 801.18 g/mol, XLogP of 12.90, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123258319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).