N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline

C43H34F3N3O2S — CID 119057292

IUPACN,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(C)c(-c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)nc(-c5ccccn5)c4)s3)c(C)c2)cc1
InChIInChI=1S/C43H34F3N3O2S/c1-27-22-34(49(32-11-15-35(50-3)16-12-32)33-13-17-36(51-4)18-14-33)23-28(2)42(27)41-20-19-40(52-41)30-25-38(29-8-7-9-31(24-29)43(44,45)46)48-39(26-30)37-10-5-6-21-47-37/h5-26H,1-4H3
InChIKeyIMFBPSUYEQOEPO-UHFFFAOYSA-N
MW713.83 g/mol
LogP12.33
Rot. Bonds9

About N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline

N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline (PubChem CID 119057292) has the molecular formula C43H34F3N3O2S and a molecular weight of 713.83 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
PubChem CID119057292
Molecular FormulaC43H34F3N3O2S
Molecular Weight713.83 g/mol
Exact Mass713.23
IUPAC NameN,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(C)c(-c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)nc(-c5ccccn5)c4)s3)c(C)c2)cc1
InChIInChI=1S/C43H34F3N3O2S/c1-27-22-34(49(32-11-15-35(50-3)16-12-32)33-13-17-36(51-4)18-14-33)23-28(2)42(27)41-20-19-40(52-41)30-25-38(29-8-7-9-31(24-29)43(44,45)46)48-39(26-30)37-10-5-6-21-47-37/h5-26H,1-4H3
InChIKeyIMFBPSUYEQOEPO-UHFFFAOYSA-N
XLogP12.33
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.83
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(4-Methoxyphenyl)piperazin-1-yl]hexylsulfanyl]-7-(trifluoromethyl)quinoline
CID 137440645
2-(4-methylphenyl)-N-(quinolin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]thiophen-3-amine
CID 141090431
3-tert-butyl-8-methyl-2H-1,3-benzothiazin-3-ium;3,8-diphenyl-2H-1,3-benzothiazin-3-ium;3-(4-methoxyphenyl)-8-phenyl-2H-1,3-benzothiazin-3-ium;tris(8-methyl-3-(2-methylphenyl)-2H-1,3-benzothiazin-3-ium);8-methyl-3-phenyl-2H-1,3-benzothiazin-3-ium;8-methyl-3-[4-(trifluoromethyl)phenyl]-2H-1,3-benzothiazin-3-ium;3-phenyl-2H-1,3-benzothiazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzothiazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzothiazin-3-ium;3,4,8-triphenyl-2H-1,3-benzothiazin-3-ium
CID 157302836
1,3-Difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methyl-4-phenylbenzene;1-(4-methylphenyl)piperazine;2-(4-methylphenyl)thieno[3,2-c]pyridine;1-methyl-3-(trifluoromethoxy)benzene;1,3-xylene;1,4-xylene
CID 161108579
2-[2-Methoxy-5-[4-[3,3,4,4,5,5,6,6-octafluoro-2-[5-(4-methoxy-3-pyridin-2-ylphenyl)thiophen-3-yl]cyclohexen-1-yl]thiophen-2-yl]phenyl]pyridine
CID 166754522
3-[5-[4-[3,3,4,4,5,5-Hexafluoro-2-[5-(3-isoquinolin-3-yl-4-methoxyphenyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-2-methoxyphenyl]isoquinoline
CID 166754530
4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-[4-[(E)-2-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]ethenyl]-2-pyridinyl]pyridine
CID 101563264
N,N-bis(4-methoxyphenyl)-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline
CID 101806445
9,9-diethyl-N,N-bis(4-methoxyphenyl)-7-[5-(trifluoromethyl)-2-pyridinyl]fluoren-2-amine
CID 132916770
[2-[4-formyloxy-6-[4-[5-(4-methyl-N-[4-(trifluoromethyl)phenyl]anilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
CID 159961710
4-(4-Methoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 161290455
4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 70666310

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline (CID 119057292) is N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline is COc1ccc(N(c2ccc(OC)cc2)c2cc(C)c(-c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)nc(-c5ccccn5)c4)s3)c(C)c2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline?
The InChIKey is IMFBPSUYEQOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34F3N3O2S/c1-27-22-34(49(32-11-15-35(50-3)16-12-32)33-13-17-36(51-4)18-14-33)23-28(2)42(27)41-20-19-40(52-41)30-25-38(29-8-7-9-31(24-29)43(44,45)46)48-39(26-30)37-10-5-6-21-47-37/h5-26H,1-4H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline?
N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline has a molecular weight of 713.83 g/mol, XLogP of 12.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-3,5-dimethyl-4-[5-[2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]thiophen-2-yl]aniline is sourced from PubChem (CID 119057292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).