N-(3-ethylphenyl)-N,2,4-triphenylaniline

C32H27N — CID 20734354

IUPACN-(3-ethylphenyl)-N,2,4-triphenylaniline
SMILESCCc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C32H27N/c1-2-25-13-12-20-30(23-25)33(29-18-10-5-11-19-29)32-22-21-28(26-14-6-3-7-15-26)24-31(32)27-16-8-4-9-17-27/h3-24H,2H2,1H3
InChIKeyICUUAPKPIJKYEK-UHFFFAOYSA-N
MW425.58 g/mol
LogP9.05
Rot. Bonds6

About N-(3-ethylphenyl)-N,2,4-triphenylaniline

N-(3-ethylphenyl)-N,2,4-triphenylaniline (PubChem CID 20734354) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is N-(3-ethylphenyl)-N,2,4-triphenylaniline.

Molecular Properties

Compound NameN-(3-ethylphenyl)-N,2,4-triphenylaniline
PubChem CID20734354
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC NameN-(3-ethylphenyl)-N,2,4-triphenylaniline
SMILESCCc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C32H27N/c1-2-25-13-12-20-30(23-25)33(29-18-10-5-11-19-29)32-22-21-28(26-14-6-3-7-15-26)24-31(32)27-16-8-4-9-17-27/h3-24H,2H2,1H3
InChIKeyICUUAPKPIJKYEK-UHFFFAOYSA-N
XLogP9.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
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
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-N,2,4-triphenylaniline?
The IUPAC name of N-(3-ethylphenyl)-N,2,4-triphenylaniline (CID 20734354) is N-(3-ethylphenyl)-N,2,4-triphenylaniline.
What is the SMILES notation for N-(3-ethylphenyl)-N,2,4-triphenylaniline?
The canonical SMILES for N-(3-ethylphenyl)-N,2,4-triphenylaniline is CCc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-N,2,4-triphenylaniline?
The InChIKey is ICUUAPKPIJKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-2-25-13-12-20-30(23-25)33(29-18-10-5-11-19-29)32-22-21-28(26-14-6-3-7-15-26)24-31(32)27-16-8-4-9-17-27/h3-24H,2H2,1H3.
What are the key properties of N-(3-ethylphenyl)-N,2,4-triphenylaniline?
N-(3-ethylphenyl)-N,2,4-triphenylaniline has a molecular weight of 425.58 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-N,2,4-triphenylaniline is sourced from PubChem (CID 20734354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).