trifluoro-[4-(N-phenylanilino)phenyl]boranuide

C18H14BF3N- — CID 91809674

IUPACtrifluoro-[4-(N-phenylanilino)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BF3N/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q-1
InChIKeyYVOWOGGSJVCBGI-UHFFFAOYSA-N
MW312.12 g/mol
LogP5.21
Rot. Bonds4

About trifluoro-[4-(N-phenylanilino)phenyl]boranuide

trifluoro-[4-(N-phenylanilino)phenyl]boranuide (PubChem CID 91809674) has the molecular formula C18H14BF3N- and a molecular weight of 312.12 g/mol. Its IUPAC name is trifluoro-[4-(N-phenylanilino)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(N-phenylanilino)phenyl]boranuide
PubChem CID91809674
Molecular FormulaC18H14BF3N-
Molecular Weight312.12 g/mol
Exact Mass312.12
IUPAC Nametrifluoro-[4-(N-phenylanilino)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BF3N/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q-1
InChIKeyYVOWOGGSJVCBGI-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.12
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[4-(N-phenylanilino)phenyl]boranuide
CID 91809673
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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
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
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
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
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(N-phenylanilino)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(N-phenylanilino)phenyl]boranuide (CID 91809674) is trifluoro-[4-(N-phenylanilino)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(N-phenylanilino)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(N-phenylanilino)phenyl]boranuide is F[B-](F)(F)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of trifluoro-[4-(N-phenylanilino)phenyl]boranuide?
The InChIKey is YVOWOGGSJVCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BF3N/c20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q-1.
What are the key properties of trifluoro-[4-(N-phenylanilino)phenyl]boranuide?
trifluoro-[4-(N-phenylanilino)phenyl]boranuide has a molecular weight of 312.12 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(N-phenylanilino)phenyl]boranuide is sourced from PubChem (CID 91809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).