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

C38H46N2O4S3 — CID 123918744

IUPAC4-[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
SMILESCOc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4c(OC)cc(N(C)C)cc4OC)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C38H46N2O4S3/c1-19-21(3)35(45-33(19)31-27(41-11)15-25(39(7)8)16-28(31)42-12)37-23(5)24(6)38(47-37)36-22(4)20(2)34(46-36)32-29(43-13)17-26(40(9)10)18-30(32)44-14/h15-18H,1-14H3
InChIKeyPGPQPLDDCPRRND-UHFFFAOYSA-N
MW691.00 g/mol
LogP10.56
Rot. Bonds10

About 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

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 (PubChem CID 123918744) has the molecular formula C38H46N2O4S3 and a molecular weight of 691.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123918744
Molecular FormulaC38H46N2O4S3
Molecular Weight691.00 g/mol
Exact Mass690.26
IUPAC Name4-[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
SMILESCOc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4c(OC)cc(N(C)C)cc4OC)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C38H46N2O4S3/c1-19-21(3)35(45-33(19)31-27(41-11)15-25(39(7)8)16-28(31)42-12)37-23(5)24(6)38(47-37)36-22(4)20(2)34(46-36)32-29(43-13)17-26(40(9)10)18-30(32)44-14/h15-18H,1-14H3
InChIKeyPGPQPLDDCPRRND-UHFFFAOYSA-N
XLogP10.56
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.00
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-Dicyanomethylene-4-(2-(5-(2-(2,6-dimethoxy-4-(dibutylamino)phenyl)vinyl)-2-thienyl)vinyl)-5-phenyl-5-trifluoromethyl-2,5-dihydrofuran-3-carbonitrile
CID 88549020
2-[3-Cyano-4-[2-[5-[2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
CID 140586439
2-[3-cyano-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-ylidene]propanedinitrile
CID 102103645
N,N-dibutyl-3,5-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 68009122
2-[2-(4-Dibutylamino-2,6-dimethoxyphenyl)vinyl]thiophene
CID 68009125
(2E)-2-(1-cyanoethylidene)-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-3-carbonitrile
CID 68171072
(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
2-[3-cyano-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2,6-dimethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 88549587
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]-5,5-dimethylfuran-3-carbonitrile
CID 117891575
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N(C)C)cc(OC)c1-c1sc(-c2sc(-c3sc(-c4c(OC)cc(N(C)C)cc4OC)c(C)c3C)c(C)c2C)c(C)c1C.
What is the InChIKey of 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?
The InChIKey is PGPQPLDDCPRRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2O4S3/c1-19-21(3)35(45-33(19)31-27(41-11)15-25(39(7)8)16-28(31)42-12)37-23(5)24(6)38(47-37)36-22(4)20(2)34(46-36)32-29(43-13)17-26(40(9)10)18-30(32)44-14/h15-18H,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 691.00 g/mol, XLogP of 10.56, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123918744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).