2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine

C24H21N5 — CID 154732380

IUPAC2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C24H21N5/c25-19-12-4-7-15-22(19)29(23-16-8-5-13-20(23)26)24-17-9-6-14-21(24)28-27-18-10-2-1-3-11-18/h1-17H,25-26H2/b28-27+
InChIKeyNIVFIJABTLNAGR-BYYHNAKLSA-N
MW379.47 g/mol
LogP6.74
Rot. Bonds5

About 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine

2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine (PubChem CID 154732380) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine
PubChem CID154732380
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C24H21N5/c25-19-12-4-7-15-22(19)29(23-16-8-5-13-20(23)26)24-17-9-6-14-21(24)28-27-18-10-2-1-3-11-18/h1-17H,25-26H2/b28-27+
InChIKeyNIVFIJABTLNAGR-BYYHNAKLSA-N
XLogP6.74
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
2-(2-amino-N-(2-aminophenyl)anilino)phenol
CID 139931825
3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine
CID 21040348
2-phenyldiazenylphenol
CID 16897
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
diphenyldiazene;hydrofluoride
CID 174857584
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
diphenyldiazene;naphthalen-1-amine
CID 159387194
2-methyl-4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
CID 3019870
2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
CID 170987598
bis(diphenyldiazene);uranium;vanadium
CID 158886927

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine (CID 154732380) is 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine is Nc1ccccc1N(c1ccccc1N)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine?
The InChIKey is NIVFIJABTLNAGR-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H21N5/c25-19-12-4-7-15-22(19)29(23-16-8-5-13-20(23)26)24-17-9-6-14-21(24)28-27-18-10-2-1-3-11-18/h1-17H,25-26H2/b28-27+.
What are the key properties of 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine?
2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine has a molecular weight of 379.47 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-2-N-(2-phenyldiazenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 154732380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).