4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline

C37H28F2N2 — CID 126517232

IUPAC4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
SMILESFC(F)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H28F2N2/c38-37(39,29-21-25-35(26-22-29)40(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)41(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyHFJRTKMGDGEMGN-UHFFFAOYSA-N
MW538.64 g/mol
LogP10.77
Rot. Bonds8

About 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline

4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline (PubChem CID 126517232) has the molecular formula C37H28F2N2 and a molecular weight of 538.64 g/mol. Its IUPAC name is 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
PubChem CID126517232
Molecular FormulaC37H28F2N2
Molecular Weight538.64 g/mol
Exact Mass538.22
IUPAC Name4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
SMILESFC(F)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H28F2N2/c38-37(39,29-21-25-35(26-22-29)40(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)41(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyHFJRTKMGDGEMGN-UHFFFAOYSA-N
XLogP10.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
CID 129147379
4-tert-butyl-N,N-diphenylaniline
CID 11312667
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58986519
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline?
The IUPAC name of 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline (CID 126517232) is 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline is FC(F)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline?
The InChIKey is HFJRTKMGDGEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F2N2/c38-37(39,29-21-25-35(26-22-29)40(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)41(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H.
What are the key properties of 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline?
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline has a molecular weight of 538.64 g/mol, XLogP of 10.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline is sourced from PubChem (CID 126517232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).