3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline

C24H17BrClN — CID 166495321

IUPAC3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline
SMILESClc1ccccc1-c1cc(Br)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H17BrClN/c25-19-15-18(23-13-7-8-14-24(23)26)16-22(17-19)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-17H
InChIKeyNDEJGRCXYFBYPN-UHFFFAOYSA-N
MW434.76 g/mol
LogP8.24
Rot. Bonds4

About 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline

3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline (PubChem CID 166495321) has the molecular formula C24H17BrClN and a molecular weight of 434.76 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline
PubChem CID166495321
Molecular FormulaC24H17BrClN
Molecular Weight434.76 g/mol
Exact Mass433.02
IUPAC Name3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline
SMILESClc1ccccc1-c1cc(Br)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H17BrClN/c25-19-15-18(23-13-7-8-14-24(23)26)16-22(17-19)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-17H
InChIKeyNDEJGRCXYFBYPN-UHFFFAOYSA-N
XLogP8.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.76
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
CID 67396310
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride
CID 163457371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline (CID 166495321) is 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline is Clc1ccccc1-c1cc(Br)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline?
The InChIKey is NDEJGRCXYFBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClN/c25-19-15-18(23-13-7-8-14-24(23)26)16-22(17-19)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-17H.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline?
3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline has a molecular weight of 434.76 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline is sourced from PubChem (CID 166495321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).