4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline

C24H14F5N — CID 102107695

IUPAC4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C24H14F5N/c25-20-19(21(26)23(28)24(29)22(20)27)15-11-13-18(14-12-15)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyOKILPOVJKUQGKQ-UHFFFAOYSA-N
MW411.37 g/mol
LogP7.52
Rot. Bonds4

About 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline

4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline (PubChem CID 102107695) has the molecular formula C24H14F5N and a molecular weight of 411.37 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
PubChem CID102107695
Molecular FormulaC24H14F5N
Molecular Weight411.37 g/mol
Exact Mass411.10
IUPAC Name4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C24H14F5N/c25-20-19(21(26)23(28)24(29)22(20)27)15-11-13-18(14-12-15)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyOKILPOVJKUQGKQ-UHFFFAOYSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.37
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline
CID 163845903
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
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-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)aniline;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-3-triphenylsilylaniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(3-triphenylsilylphenyl)phenyl]aniline
CID 162138902
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline (CID 102107695) is 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline is Fc1c(F)c(F)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F.
What is the InChIKey of 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline?
The InChIKey is OKILPOVJKUQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5N/c25-20-19(21(26)23(28)24(29)22(20)27)15-11-13-18(14-12-15)30(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline?
4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline has a molecular weight of 411.37 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline is sourced from PubChem (CID 102107695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).