3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline

C28H29NO6S — CID 169408874

IUPAC3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(N(c2ccc(-c3cccs3)cc2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C28H29NO6S/c1-30-22-14-20(15-23(31-2)27(22)34-5)29(19-11-9-18(10-12-19)26-8-7-13-36-26)21-16-24(32-3)28(35-6)25(17-21)33-4/h7-17H,1-6H3
InChIKeyBHUWFGGHQFTFIX-UHFFFAOYSA-N
MW507.61 g/mol
LogP6.94
Rot. Bonds10

About 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline

3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline (PubChem CID 169408874) has the molecular formula C28H29NO6S and a molecular weight of 507.61 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
PubChem CID169408874
Molecular FormulaC28H29NO6S
Molecular Weight507.61 g/mol
Exact Mass507.17
IUPAC Name3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
SMILESCOc1cc(N(c2ccc(-c3cccs3)cc2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C28H29NO6S/c1-30-22-14-20(15-23(31-2)27(22)34-5)29(19-11-9-18(10-12-19)26-8-7-13-36-26)21-16-24(32-3)28(35-6)25(17-21)33-4/h7-17H,1-6H3
InChIKeyBHUWFGGHQFTFIX-UHFFFAOYSA-N
XLogP6.94
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
N,N-bis(4-methoxyphenyl)-4-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)aniline
CID 102288216
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
CID 118274774
2-[4-(3-methoxynaphthalen-1-yl)phenyl]thiophene
CID 68966616
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 102055550
N,3-diphenyl-N-(3-phenylphenyl)aniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;2-phenyl-N,N-bis(2-phenylphenyl)aniline;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
CID 162252868
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline?
The IUPAC name of 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline (CID 169408874) is 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline is COc1cc(N(c2ccc(-c3cccs3)cc2)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline?
The InChIKey is BHUWFGGHQFTFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6S/c1-30-22-14-20(15-23(31-2)27(22)34-5)29(19-11-9-18(10-12-19)26-8-7-13-36-26)21-16-24(32-3)28(35-6)25(17-21)33-4/h7-17H,1-6H3.
What are the key properties of 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline?
3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline has a molecular weight of 507.61 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline is sourced from PubChem (CID 169408874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).