2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline

C40H36N2O2 — CID 14533990

IUPAC2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
SMILESCOc1cc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)c(OC)c2)ccc1N(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C40H36N2O2/c1-29-13-11-19-35(25-29)41(33-15-7-5-8-16-33)37-23-21-31(27-39(37)43-3)32-22-24-38(40(28-32)44-4)42(34-17-9-6-10-18-34)36-20-12-14-30(2)26-36/h5-28H,1-4H3
InChIKeyZCIAOTHMLMLYGE-UHFFFAOYSA-N
MW576.74 g/mol
LogP10.93
Rot. Bonds9

About 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline

2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline (PubChem CID 14533990) has the molecular formula C40H36N2O2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
PubChem CID14533990
Molecular FormulaC40H36N2O2
Molecular Weight576.74 g/mol
Exact Mass576.28
IUPAC Name2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
SMILESCOc1cc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)c(OC)c2)ccc1N(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C40H36N2O2/c1-29-13-11-19-35(25-29)41(33-15-7-5-8-16-33)37-23-21-31(27-39(37)43-3)32-22-24-38(40(28-32)44-4)42(34-17-9-6-10-18-34)36-20-12-14-30(2)26-36/h5-28H,1-4H3
InChIKeyZCIAOTHMLMLYGE-UHFFFAOYSA-N
XLogP10.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-[4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-1-N-naphthalen-1-ylbenzene-1,4-diamine;1-N-(2-methoxyphenyl)-4-N-[4-[4-[4-(N-(2-methoxyphenyl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(4-methyl-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-(3-methylphenyl)-1-N-[4-[4-[N-(3-methylphenyl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 160896783
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-[4-[3-methoxy-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-methylphenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277282
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
N,N-bis(3-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N,N-bis(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-N-(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 165046285

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline?
The IUPAC name of 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline (CID 14533990) is 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline is COc1cc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)c(OC)c2)ccc1N(c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline?
The InChIKey is ZCIAOTHMLMLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O2/c1-29-13-11-19-35(25-29)41(33-15-7-5-8-16-33)37-23-21-31(27-39(37)43-3)32-22-24-38(40(28-32)44-4)42(34-17-9-6-10-18-34)36-20-12-14-30(2)26-36/h5-28H,1-4H3.
What are the key properties of 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline?
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline has a molecular weight of 576.74 g/mol, XLogP of 10.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 14533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).