4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline

C36H24F4N2 — CID 143060533

IUPAC4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
SMILESFc1cc(Nc2ccc(-c3ccccc3)cc2)cc(F)c1-c1c(F)cc(Nc2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C36H24F4N2/c37-31-19-29(41-27-15-11-25(12-16-27)23-7-3-1-4-8-23)20-32(38)35(31)36-33(39)21-30(22-34(36)40)42-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,41-42H
InChIKeyIWKZDDBZXBSRAK-UHFFFAOYSA-N
MW560.59 g/mol
LogP10.73
Rot. Bonds7

About 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline

4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline (PubChem CID 143060533) has the molecular formula C36H24F4N2 and a molecular weight of 560.59 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
PubChem CID143060533
Molecular FormulaC36H24F4N2
Molecular Weight560.59 g/mol
Exact Mass560.19
IUPAC Name4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
SMILESFc1cc(Nc2ccc(-c3ccccc3)cc2)cc(F)c1-c1c(F)cc(Nc2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C36H24F4N2/c37-31-19-29(41-27-15-11-25(12-16-27)23-7-3-1-4-8-23)20-32(38)35(31)36-33(39)21-30(22-34(36)40)42-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,41-42H
InChIKeyIWKZDDBZXBSRAK-UHFFFAOYSA-N
XLogP10.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.59
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-nitro-N,4-diphenylaniline
CID 156538727
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
N,6-diphenylnaphthalen-2-amine
CID 67205043
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol
CID 70387223
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
CID 175904297
CID 175904297
4-(4-anilinophenyl)benzene-1,2,3,5-tetrol
CID 144777394

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline (CID 143060533) is 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline is Fc1cc(Nc2ccc(-c3ccccc3)cc2)cc(F)c1-c1c(F)cc(Nc2ccc(-c3ccccc3)cc2)cc1F.
What is the InChIKey of 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline?
The InChIKey is IWKZDDBZXBSRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F4N2/c37-31-19-29(41-27-15-11-25(12-16-27)23-7-3-1-4-8-23)20-32(38)35(31)36-33(39)21-30(22-34(36)40)42-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,41-42H.
What are the key properties of 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline?
4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline has a molecular weight of 560.59 g/mol, XLogP of 10.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143060533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).