N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline

C42H40N2O — CID 71277268

IUPACN-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C42H40N2O/c1-29-7-13-35(14-8-29)43(39-17-11-31(3)33(5)27-39)37-19-23-41(24-20-37)45-42-25-21-38(22-26-42)44(36-15-9-30(2)10-16-36)40-18-12-32(4)34(6)28-40/h7-28H,1-6H3
InChIKeyXEWHLUMRDFHTKT-UHFFFAOYSA-N
MW588.80 g/mol
LogP12.27
Rot. Bonds8

About N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline

N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline (PubChem CID 71277268) has the molecular formula C42H40N2O and a molecular weight of 588.80 g/mol. Its IUPAC name is N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
PubChem CID71277268
Molecular FormulaC42H40N2O
Molecular Weight588.80 g/mol
Exact Mass588.31
IUPAC NameN-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C42H40N2O/c1-29-7-13-35(14-8-29)43(39-17-11-31(3)33(5)27-39)37-19-23-41(24-20-37)45-42-25-21-38(22-26-42)44(36-15-9-30(2)10-16-36)40-18-12-32(4)34(6)28-40/h7-28H,1-6H3
InChIKeyXEWHLUMRDFHTKT-UHFFFAOYSA-N
XLogP12.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.80
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[N-(3,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenoxy]phenyl]-N,3,4-trimethylaniline
CID 23593145
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
CID 20580129
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
CID 170298628

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline (CID 71277268) is N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)c(C)c4)cc3)cc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline?
The InChIKey is XEWHLUMRDFHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2O/c1-29-7-13-35(14-8-29)43(39-17-11-31(3)33(5)27-39)37-19-23-41(24-20-37)45-42-25-21-38(22-26-42)44(36-15-9-30(2)10-16-36)40-18-12-32(4)34(6)28-40/h7-28H,1-6H3.
What are the key properties of N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline?
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline has a molecular weight of 588.80 g/mol, XLogP of 12.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 71277268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).