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

C39H33NO3 — CID 59196803

IUPAC4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OC)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H33NO3/c1-41-37-22-10-31(11-23-37)28-4-16-34(17-5-28)40(35-18-6-29(7-19-35)32-12-24-38(42-2)25-13-32)36-20-8-30(9-21-36)33-14-26-39(43-3)27-15-33/h4-27H,1-3H3
InChIKeyDWMVVARYAFLTHT-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.18
Rot. Bonds9

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

4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline (PubChem CID 59196803) has the molecular formula C39H33NO3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline
PubChem CID59196803
Molecular FormulaC39H33NO3
Molecular Weight563.70 g/mol
Exact Mass563.25
IUPAC Name4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OC)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H33NO3/c1-41-37-22-10-31(11-23-37)28-4-16-34(17-5-28)40(35-18-6-29(7-19-35)32-12-24-38(42-2)25-13-32)36-20-8-30(9-21-36)33-14-26-39(43-3)27-15-33/h4-27H,1-3H3
InChIKeyDWMVVARYAFLTHT-UHFFFAOYSA-N
XLogP10.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline?
The IUPAC name of 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline (CID 59196803) is 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline?
The canonical SMILES for 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline is COc1ccc(-c2ccc(N(c3ccc(-c4ccc(OC)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline?
The InChIKey is DWMVVARYAFLTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33NO3/c1-41-37-22-10-31(11-23-37)28-4-16-34(17-5-28)40(35-18-6-29(7-19-35)32-12-24-38(42-2)25-13-32)36-20-8-30(9-21-36)33-14-26-39(43-3)27-15-33/h4-27H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline?
4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline has a molecular weight of 563.70 g/mol, XLogP of 10.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)phenyl]aniline is sourced from PubChem (CID 59196803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).