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

C37H27F2NO — CID 139260996

IUPACN,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H27F2NO/c1-41-37-24-12-31(13-25-37)30-10-22-36(23-11-30)40(34-18-6-28(7-19-34)26-2-14-32(38)15-3-26)35-20-8-29(9-21-35)27-4-16-33(39)17-5-27/h2-25H,1H3
InChIKeyHQWMHVIEWPDSKJ-UHFFFAOYSA-N
MW539.63 g/mol
LogP10.44
Rot. Bonds7

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

N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline (PubChem CID 139260996) has the molecular formula C37H27F2NO and a molecular weight of 539.63 g/mol. Its IUPAC name is N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline
PubChem CID139260996
Molecular FormulaC37H27F2NO
Molecular Weight539.63 g/mol
Exact Mass539.21
IUPAC NameN,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H27F2NO/c1-41-37-24-12-31(13-25-37)30-10-22-36(23-11-30)40(34-18-6-28(7-19-34)26-2-14-32(38)15-3-26)35-20-8-29(9-21-35)27-4-16-33(39)17-5-27/h2-25H,1H3
InChIKeyHQWMHVIEWPDSKJ-UHFFFAOYSA-N
XLogP10.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline?
The IUPAC name of N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline (CID 139260996) is N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline?
The canonical SMILES for N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline is COc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline?
The InChIKey is HQWMHVIEWPDSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27F2NO/c1-41-37-24-12-31(13-25-37)30-10-22-36(23-11-30)40(34-18-6-28(7-19-34)26-2-14-32(38)15-3-26)35-20-8-29(9-21-35)27-4-16-33(39)17-5-27/h2-25H,1H3.
What are the key properties of N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline?
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline has a molecular weight of 539.63 g/mol, XLogP of 10.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)aniline is sourced from PubChem (CID 139260996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).