2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline

C42H40N2 — CID 22900130

IUPAC2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
SMILESCCc1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)cccc3CC)cc2)cc1
InChIInChI=1S/C42H40N2/c1-5-33-17-13-15-31(3)41(33)43(37-19-9-7-10-20-37)39-27-23-35(24-28-39)36-25-29-40(30-26-36)44(38-21-11-8-12-22-38)42-32(4)16-14-18-34(42)6-2/h7-30H,5-6H2,1-4H3
InChIKeyPEHZLVAWEYCJCR-UHFFFAOYSA-N
MW572.80 g/mol
LogP12.03
Rot. Bonds9

About 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline

2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline (PubChem CID 22900130) has the molecular formula C42H40N2 and a molecular weight of 572.80 g/mol. Its IUPAC name is 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
PubChem CID22900130
Molecular FormulaC42H40N2
Molecular Weight572.80 g/mol
Exact Mass572.32
IUPAC Name2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
SMILESCCc1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)cccc3CC)cc2)cc1
InChIInChI=1S/C42H40N2/c1-5-33-17-13-15-31(3)41(33)43(37-19-9-7-10-20-37)39-27-23-35(24-28-39)36-25-29-40(30-26-36)44(38-21-11-8-12-22-38)42-32(4)16-14-18-34(42)6-2/h7-30H,5-6H2,1-4H3
InChIKeyPEHZLVAWEYCJCR-UHFFFAOYSA-N
XLogP12.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.80
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
CID 118968850
N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 58177556
4-[2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 70163477
2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 89417438
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[2-(4-methylphenyl)ethyl]phenyl]aniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 158930440
N-[4-[2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]phenyl]-2-ethyl-6-methyl-N-phenylaniline
CID 89327832
N-[4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]-N-(2-ethyl-6-methylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
CID 155305754
2-ethyl-N,6-dimethyl-N-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]aniline
CID 126602598
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline;2-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-6-methyl-N-phenylaniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline;4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 160974207
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline?
The IUPAC name of 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline (CID 22900130) is 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline.
What is the SMILES notation for 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline?
The canonical SMILES for 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline is CCc1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)cccc3CC)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline?
The InChIKey is PEHZLVAWEYCJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2/c1-5-33-17-13-15-31(3)41(33)43(37-19-9-7-10-20-37)39-27-23-35(24-28-39)36-25-29-40(30-26-36)44(38-21-11-8-12-22-38)42-32(4)16-14-18-34(42)6-2/h7-30H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline?
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline has a molecular weight of 572.80 g/mol, XLogP of 12.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline is sourced from PubChem (CID 22900130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).