N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline

C25H20ClNO — CID 20734414

IUPACN-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
SMILESCOc1ccc(N(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20ClNO/c1-28-25-17-15-24(16-18-25)27(23-13-9-21(26)10-14-23)22-11-7-20(8-12-22)19-5-3-2-4-6-19/h2-18H,1H3
InChIKeyDVBQDLJMCYAPBS-UHFFFAOYSA-N
MW385.89 g/mol
LogP7.49
Rot. Bonds5

About N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline

N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline (PubChem CID 20734414) has the molecular formula C25H20ClNO and a molecular weight of 385.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
PubChem CID20734414
Molecular FormulaC25H20ClNO
Molecular Weight385.89 g/mol
Exact Mass385.12
IUPAC NameN-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
SMILESCOc1ccc(N(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20ClNO/c1-28-25-17-15-24(16-18-25)27(23-13-9-21(26)10-14-23)22-11-7-20(8-12-22)19-5-3-2-4-6-19/h2-18H,1H3
InChIKeyDVBQDLJMCYAPBS-UHFFFAOYSA-N
XLogP7.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
anisole;1,4-dichlorobenzene
CID 175517246
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline?
The IUPAC name of N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline (CID 20734414) is N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline.
What is the SMILES notation for N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline?
The canonical SMILES for N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline is COc1ccc(N(c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline?
The InChIKey is DVBQDLJMCYAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO/c1-28-25-17-15-24(16-18-25)27(23-13-9-21(26)10-14-23)22-11-7-20(8-12-22)19-5-3-2-4-6-19/h2-18H,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline?
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline has a molecular weight of 385.89 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline is sourced from PubChem (CID 20734414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).