4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline

C44H44N2O2 — CID 59479623

IUPAC4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(COC)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H44N2O2/c1-5-33-7-19-39(20-8-33)45(40-21-9-34(6-2)10-22-40)43-27-15-37(16-28-43)38-17-29-44(30-18-38)46(41-23-11-35(12-24-41)31-47-3)42-25-13-36(14-26-42)32-48-4/h7-30H,5-6,31-32H2,1-4H3
InChIKeyWJVNACOIZWRHKY-UHFFFAOYSA-N
MW632.85 g/mol
LogP11.71
Rot. Bonds13

About 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline

4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline (PubChem CID 59479623) has the molecular formula C44H44N2O2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
PubChem CID59479623
Molecular FormulaC44H44N2O2
Molecular Weight632.85 g/mol
Exact Mass632.34
IUPAC Name4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(COC)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H44N2O2/c1-5-33-7-19-39(20-8-33)45(40-21-9-34(6-2)10-22-40)43-27-15-37(16-28-43)38-17-29-44(30-18-38)46(41-23-11-35(12-24-41)31-47-3)42-25-13-36(14-26-42)32-48-4/h7-30H,5-6,31-32H2,1-4H3
InChIKeyWJVNACOIZWRHKY-UHFFFAOYSA-N
XLogP11.71
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline with MolForge

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Related Compounds

N-[4-[4-[N-[4-(ethoxymethyl)phenyl]-4-(methoxymethyl)anilino]phenyl]phenyl]-4-ethyl-N-(4-ethylphenyl)aniline
CID 70846302
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
CID 18935095
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
CID 101010389
CID 101010389
N-[4-[4-[42,51-bis[4-[[4-[4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]anilino]phenyl]methoxymethyl]phenyl]-30-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]-9,18-bis[4-(methoxymethyl)phenyl]-3,24,36,57-tetraoxa-9,18,30,42,51,63-hexazatridecacyclo[62.2.2.25,8.210,13.214,17.219,22.226,29.231,34.238,41.243,46.247,50.252,55.259,62]nonaconta-1(67),5,7,10,12,14,16,19,21,26,28,31,33,38(78),39,41(77),43(76),44,46(75),47(74),48,50(73),52(72),53,55(71),59(70),60,62(69),64(68),65,79,81,83,85,87,89-hexatriacontaen-63-yl]phenyl]phenyl]-4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]aniline
CID 171418983
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline?
The IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline (CID 59479623) is 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline.
What is the SMILES notation for 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline?
The canonical SMILES for 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline is CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(COC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline?
The InChIKey is WJVNACOIZWRHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2O2/c1-5-33-7-19-39(20-8-33)45(40-21-9-34(6-2)10-22-40)43-27-15-37(16-28-43)38-17-29-44(30-18-38)46(41-23-11-35(12-24-41)31-47-3)42-25-13-36(14-26-42)32-48-4/h7-30H,5-6,31-32H2,1-4H3.
What are the key properties of 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline?
4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline has a molecular weight of 632.85 g/mol, XLogP of 11.71, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline is sourced from PubChem (CID 59479623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).