N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline

C54H50N2O2 — CID 162149511

IUPACN,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(C)ccc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NO2.C26H23N/c1-20-5-8-22(9-6-20)27-18-7-21(2)19-28(27)29(23-10-14-25(30-3)15-11-23)24-12-16-26(31-4)17-13-24;1-20-13-16-22(17-14-20)25-18-15-21(2)19-26(25)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h5-19H,1-4H3;3-19H,1-2H3
InChIKeyZKZVCAJMHMGVDB-UHFFFAOYSA-N
MW759.01 g/mol
LogP14.90
Rot. Bonds10

About N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline

N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline (PubChem CID 162149511) has the molecular formula C54H50N2O2 and a molecular weight of 759.01 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline
PubChem CID162149511
Molecular FormulaC54H50N2O2
Molecular Weight759.01 g/mol
Exact Mass758.39
IUPAC NameN,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(C)ccc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NO2.C26H23N/c1-20-5-8-22(9-6-20)27-18-7-21(2)19-28(27)29(23-10-14-25(30-3)15-11-23)24-12-16-26(31-4)17-13-24;1-20-13-16-22(17-14-20)25-18-15-21(2)19-26(25)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h5-19H,1-4H3;3-19H,1-2H3
InChIKeyZKZVCAJMHMGVDB-UHFFFAOYSA-N
XLogP14.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.01
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-methylphenyl)-1-N-[3-(N-(4-methylphenyl)anilino)-4-phenylphenyl]-1-N,3-N,4-triphenylbenzene-1,3-diamine
CID 139762641
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
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 122533758

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline (CID 162149511) is N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline is COc1ccc(N(c2ccc(OC)cc2)c2cc(C)ccc2-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline?
The InChIKey is ZKZVCAJMHMGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2.C26H23N/c1-20-5-8-22(9-6-20)27-18-7-21(2)19-28(27)29(23-10-14-25(30-3)15-11-23)24-12-16-26(31-4)17-13-24;1-20-13-16-22(17-14-20)25-18-15-21(2)19-26(25)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h5-19H,1-4H3;3-19H,1-2H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline?
N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline has a molecular weight of 759.01 g/mol, XLogP of 14.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 162149511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).