4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline

C39H50N2O4 — CID 139830449

IUPAC4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline
SMILESCCCOc1ccc(-c2cc(-c3ccc(N(CC)CC)cc3)cc(-c3ccc(OCCC)cc3OCCC)n2)c(OCCC)c1
InChIInChI=1S/C39H50N2O4/c1-7-21-42-32-17-19-34(38(27-32)44-23-9-3)36-25-30(29-13-15-31(16-14-29)41(11-5)12-6)26-37(40-36)35-20-18-33(43-22-8-2)28-39(35)45-24-10-4/h13-20,25-28H,7-12,21-24H2,1-6H3
InChIKeyFHGSUKPRIKYVGQ-UHFFFAOYSA-N
MW610.84 g/mol
LogP10.08
Rot. Bonds18

About 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline

4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline (PubChem CID 139830449) has the molecular formula C39H50N2O4 and a molecular weight of 610.84 g/mol. Its IUPAC name is 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline
PubChem CID139830449
Molecular FormulaC39H50N2O4
Molecular Weight610.84 g/mol
Exact Mass610.38
IUPAC Name4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline
SMILESCCCOc1ccc(-c2cc(-c3ccc(N(CC)CC)cc3)cc(-c3ccc(OCCC)cc3OCCC)n2)c(OCCC)c1
InChIInChI=1S/C39H50N2O4/c1-7-21-42-32-17-19-34(38(27-32)44-23-9-3)36-25-30(29-13-15-31(16-14-29)41(11-5)12-6)26-37(40-36)35-20-18-33(43-22-8-2)28-39(35)45-24-10-4/h13-20,25-28H,7-12,21-24H2,1-6H3
InChIKeyFHGSUKPRIKYVGQ-UHFFFAOYSA-N
XLogP10.08
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.84
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 15375140
N-(4-bromophenyl)-4-(2,4-dibutoxyphenyl)-N-[4-(2,4-dibutoxyphenyl)phenyl]aniline
CID 162394350
4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
CID 18004124
3-chloro-1-[4-(diethylamino)phenyl]-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584571
N,N-diethyl-4-[4-[2-(propylamino)ethoxy]phenyl]-6-(2,4,5-trimethoxyphenyl)pyridin-2-amine
CID 142644066
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
3-butoxy-4-[2-[2-butoxy-4-(diethylamino)phenyl]-3-methylphenyl]-N,N-diethylaniline
CID 20537794
4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-[4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 90097158
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline?
The IUPAC name of 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline (CID 139830449) is 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline is CCCOc1ccc(-c2cc(-c3ccc(N(CC)CC)cc3)cc(-c3ccc(OCCC)cc3OCCC)n2)c(OCCC)c1.
What is the InChIKey of 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline?
The InChIKey is FHGSUKPRIKYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50N2O4/c1-7-21-42-32-17-19-34(38(27-32)44-23-9-3)36-25-30(29-13-15-31(16-14-29)41(11-5)12-6)26-37(40-36)35-20-18-33(43-22-8-2)28-39(35)45-24-10-4/h13-20,25-28H,7-12,21-24H2,1-6H3.
What are the key properties of 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline?
4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline has a molecular weight of 610.84 g/mol, XLogP of 10.08, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(2,4-dipropoxyphenyl)-4-pyridinyl]-N,N-diethylaniline is sourced from PubChem (CID 139830449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).