3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol

C36H26FNO — CID 166009231

IUPAC3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(N(c2ccc(-c3ccccc3)c(F)c2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H26FNO/c37-35-25-30(20-21-33(35)27-14-6-2-7-15-27)38(36-19-11-10-18-34(36)28-16-8-3-9-17-28)31-22-29(23-32(39)24-31)26-12-4-1-5-13-26/h1-25,39H
InChIKeyZNKPMALWYALNBF-UHFFFAOYSA-N
MW507.61 g/mol
LogP10.00
Rot. Bonds6

About 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol

3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol (PubChem CID 166009231) has the molecular formula C36H26FNO and a molecular weight of 507.61 g/mol. Its IUPAC name is 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol.

Molecular Properties

Compound Name3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol
PubChem CID166009231
Molecular FormulaC36H26FNO
Molecular Weight507.61 g/mol
Exact Mass507.20
IUPAC Name3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(N(c2ccc(-c3ccccc3)c(F)c2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H26FNO/c37-35-25-30(20-21-33(35)27-14-6-2-7-15-27)38(36-19-11-10-18-34(36)28-16-8-3-9-17-28)31-22-29(23-32(39)24-31)26-12-4-1-5-13-26/h1-25,39H
InChIKeyZNKPMALWYALNBF-UHFFFAOYSA-N
XLogP10.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline
CID 177279554
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol
CID 167351682
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501164

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol?
The IUPAC name of 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol (CID 166009231) is 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol.
What is the SMILES notation for 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol?
The canonical SMILES for 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol is Oc1cc(-c2ccccc2)cc(N(c2ccc(-c3ccccc3)c(F)c2)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol?
The InChIKey is ZNKPMALWYALNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26FNO/c37-35-25-30(20-21-33(35)27-14-6-2-7-15-27)38(36-19-11-10-18-34(36)28-16-8-3-9-17-28)31-22-29(23-32(39)24-31)26-12-4-1-5-13-26/h1-25,39H.
What are the key properties of 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol?
3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol has a molecular weight of 507.61 g/mol, XLogP of 10.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol is sourced from PubChem (CID 166009231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).