4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline

C40H36N2O4 — CID 23069933

IUPAC4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3
InChIKeyWPUSEOSICYGUEW-UHFFFAOYSA-N
MW608.74 g/mol
LogP10.33
Rot. Bonds11

About 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 23069933) has the molecular formula C40H36N2O4 and a molecular weight of 608.74 g/mol. Its IUPAC name is 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID23069933
Molecular FormulaC40H36N2O4
Molecular Weight608.74 g/mol
Exact Mass608.27
IUPAC Name4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3
InChIKeyWPUSEOSICYGUEW-UHFFFAOYSA-N
XLogP10.33
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 23069933) is 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is WPUSEOSICYGUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3.
What are the key properties of 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 608.74 g/mol, XLogP of 10.33, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 23069933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).