N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline

C37H25BrF4N2 — CID 70213079

IUPACN-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4cc(F)cc(F)c4)cc3)cc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C37H25BrF4N2/c1-24-3-2-4-35(17-24)44(37-22-30(41)19-31(42)23-37)33-13-7-26(8-14-33)25-5-11-32(12-6-25)43(34-15-9-27(38)10-16-34)36-20-28(39)18-29(40)21-36/h2-23H,1H3
InChIKeyGWISHYQASLNKNG-UHFFFAOYSA-N
MW653.52 g/mol
LogP11.92
Rot. Bonds7

About N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline

N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline (PubChem CID 70213079) has the molecular formula C37H25BrF4N2 and a molecular weight of 653.52 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline
PubChem CID70213079
Molecular FormulaC37H25BrF4N2
Molecular Weight653.52 g/mol
Exact Mass652.11
IUPAC NameN-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4cc(F)cc(F)c4)cc3)cc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C37H25BrF4N2/c1-24-3-2-4-35(17-24)44(37-22-30(41)19-31(42)23-37)33-13-7-26(8-14-33)25-5-11-32(12-6-25)43(34-15-9-27(38)10-16-34)36-20-28(39)18-29(40)21-36/h2-23H,1H3
InChIKeyGWISHYQASLNKNG-UHFFFAOYSA-N
XLogP11.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.52
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline with MolForge

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Related Compounds

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 14669996
4-bromo-3-methyl-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline;3-methyl-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 161237302
3-fluoro-N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
CID 23593123
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline?
The IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline (CID 70213079) is N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline?
The canonical SMILES for N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline is Cc1cccc(N(c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4cc(F)cc(F)c4)cc3)cc2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline?
The InChIKey is GWISHYQASLNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25BrF4N2/c1-24-3-2-4-35(17-24)44(37-22-30(41)19-31(42)23-37)33-13-7-26(8-14-33)25-5-11-32(12-6-25)43(34-15-9-27(38)10-16-34)36-20-28(39)18-29(40)21-36/h2-23H,1H3.
What are the key properties of N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline?
N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline has a molecular weight of 653.52 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[4-[4-(N-(3,5-difluorophenyl)-3-methylanilino)phenyl]phenyl]-3,5-difluoroaniline is sourced from PubChem (CID 70213079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).