N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline

C30H20BrClFN — CID 177279554

IUPACN-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline
SMILESFc1cc(N(c2cc(Cl)cc(Br)c2)c2ccccc2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C30H20BrClFN/c31-23-17-24(32)19-26(18-23)34(30-14-8-7-13-28(30)22-11-5-2-6-12-22)25-15-16-27(29(33)20-25)21-9-3-1-4-10-21/h1-20H
InChIKeyKLVKTIWMCOEARN-UHFFFAOYSA-N
MW528.85 g/mol
LogP10.05
Rot. Bonds5

About N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline

N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 177279554) has the molecular formula C30H20BrClFN and a molecular weight of 528.85 g/mol. Its IUPAC name is N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline
PubChem CID177279554
Molecular FormulaC30H20BrClFN
Molecular Weight528.85 g/mol
Exact Mass527.05
IUPAC NameN-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline
SMILESFc1cc(N(c2cc(Cl)cc(Br)c2)c2ccccc2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C30H20BrClFN/c31-23-17-24(32)19-26(18-23)34(30-14-8-7-13-28(30)22-11-5-2-6-12-22)25-15-16-27(29(33)20-25)21-9-3-1-4-10-21/h1-20H
InChIKeyKLVKTIWMCOEARN-UHFFFAOYSA-N
XLogP10.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluoro-4-phenyl-N-(2-phenylphenyl)anilino)-5-phenylphenol
CID 166009231
5-chloro-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 164738275
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789132
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline (CID 177279554) is N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline is Fc1cc(N(c2cc(Cl)cc(Br)c2)c2ccccc2-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is KLVKTIWMCOEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrClFN/c31-23-17-24(32)19-26(18-23)34(30-14-8-7-13-28(30)22-11-5-2-6-12-22)25-15-16-27(29(33)20-25)21-9-3-1-4-10-21/h1-20H.
What are the key properties of N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline?
N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 528.85 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chlorophenyl)-3-fluoro-4-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 177279554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).