4-(3-methoxyphenyl)-N,N-diphenylaniline

C25H21NO — CID 175141155

IUPAC4-(3-methoxyphenyl)-N,N-diphenylaniline
SMILESCOc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H21NO/c1-27-25-14-8-9-21(19-25)20-15-17-24(18-16-20)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKeyYVVCGNPKKQLRGI-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.83
Rot. Bonds5

About 4-(3-methoxyphenyl)-N,N-diphenylaniline

4-(3-methoxyphenyl)-N,N-diphenylaniline (PubChem CID 175141155) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N,N-diphenylaniline
PubChem CID175141155
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name4-(3-methoxyphenyl)-N,N-diphenylaniline
SMILESCOc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H21NO/c1-27-25-14-8-9-21(19-25)20-15-17-24(18-16-20)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKeyYVVCGNPKKQLRGI-UHFFFAOYSA-N
XLogP6.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-methoxyphenyl)-N,N-diphenylaniline 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

1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
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
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-methoxyphenyl)-N,N-diphenylaniline (CID 175141155) is 4-(3-methoxyphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-methoxyphenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-methoxyphenyl)-N,N-diphenylaniline is COc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N,N-diphenylaniline?
The InChIKey is YVVCGNPKKQLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-27-25-14-8-9-21(19-25)20-15-17-24(18-16-20)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-N,N-diphenylaniline?
4-(3-methoxyphenyl)-N,N-diphenylaniline has a molecular weight of 351.45 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 175141155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).