2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium

C18H12Br2N3+ — CID 101392820

IUPAC2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium
SMILESN#[N+]c1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H12Br2N3/c19-13-6-8-15(9-7-13)23(14-4-2-1-3-5-14)16-10-11-18(22-21)17(20)12-16/h1-12H/q+1
InChIKeyKNILAFBEWDOXKI-UHFFFAOYSA-N
MW430.12 g/mol
LogP7.17
Rot. Bonds3

About 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium

2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium (PubChem CID 101392820) has the molecular formula C18H12Br2N3+ and a molecular weight of 430.12 g/mol. Its IUPAC name is 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium.

Molecular Properties

Compound Name2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium
PubChem CID101392820
Molecular FormulaC18H12Br2N3+
Molecular Weight430.12 g/mol
Exact Mass427.94
IUPAC Name2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium
SMILESN#[N+]c1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H12Br2N3/c19-13-6-8-15(9-7-13)23(14-4-2-1-3-5-14)16-10-11-18(22-21)17(20)12-16/h1-12H/q+1
InChIKeyKNILAFBEWDOXKI-UHFFFAOYSA-N
XLogP7.17
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.12
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromobenzenediazonium
CID 14199097
2,4-dibromobenzenediazonium chloride
CID 14199096
aniline;4-bromo-N-(4-bromophenyl)-N-phenylaniline;1-bromo-4-iodobenzene
CID 160589758
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535
N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
CID 122219455
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium?
The IUPAC name of 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium (CID 101392820) is 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium.
What is the SMILES notation for 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium?
The canonical SMILES for 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium is N#[N+]c1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium?
The InChIKey is KNILAFBEWDOXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N3/c19-13-6-8-15(9-7-13)23(14-4-2-1-3-5-14)16-10-11-18(22-21)17(20)12-16/h1-12H/q+1.
What are the key properties of 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium?
2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium has a molecular weight of 430.12 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(N-(4-bromophenyl)anilino)benzenediazonium is sourced from PubChem (CID 101392820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).