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

C42H40N2 — CID 59925649

IUPAC4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C42H40N2/c1-5-33-17-27-41(31(3)29-33)43(37-13-9-7-10-14-37)39-23-19-35(20-24-39)36-21-25-40(26-22-36)44(38-15-11-8-12-16-38)42-28-18-34(6-2)30-32(42)4/h7-30H,5-6H2,1-4H3
InChIKeyUHEQPBQFWDPLPH-UHFFFAOYSA-N
MW572.80 g/mol
LogP12.03
Rot. Bonds9

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

4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline (PubChem CID 59925649) has the molecular formula C42H40N2 and a molecular weight of 572.80 g/mol. Its IUPAC name is 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
PubChem CID59925649
Molecular FormulaC42H40N2
Molecular Weight572.80 g/mol
Exact Mass572.32
IUPAC Name4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C42H40N2/c1-5-33-17-27-41(31(3)29-33)43(37-13-9-7-10-14-37)39-23-19-35(20-24-39)36-21-25-40(26-22-36)44(38-15-11-8-12-16-38)42-28-18-34(6-2)30-32(42)4/h7-30H,5-6H2,1-4H3
InChIKeyUHEQPBQFWDPLPH-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

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Related Compounds

2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-[4-[4-(N-(3,4-dimethylphenyl)-4-ethylanilino)-3-methylphenyl]-2-methylphenyl]-N-(4-ethylphenyl)-3,4-dimethylaniline
CID 20617990
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
2-methyl-4-[3-methyl-4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 102298250
1-N-[4-(N-(3-ethylphenyl)-3-methylanilino)phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 154529575
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The IUPAC name of 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline (CID 59925649) is 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The canonical SMILES for 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline is CCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CC)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The InChIKey is UHEQPBQFWDPLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2/c1-5-33-17-27-41(31(3)29-33)43(37-13-9-7-10-14-37)39-23-19-35(20-24-39)36-21-25-40(26-22-36)44(38-15-11-8-12-16-38)42-28-18-34(6-2)30-32(42)4/h7-30H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-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 4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 59925649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).