N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline

C20H19N5 — CID 86015373

IUPACN-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
SMILESCc1cccc(C)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H19N5/c1-15-7-6-8-16(2)20(15)24-25-23-19-13-11-18(12-14-19)22-21-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24)/b22-21+
InChIKeyKYGCRIRACAJUHB-QURGRASLSA-N
MW329.41 g/mol
LogP6.83
Rot. Bonds5

About N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline

N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline (PubChem CID 86015373) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
PubChem CID86015373
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
SMILESCc1cccc(C)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H19N5/c1-15-7-6-8-16(2)20(15)24-25-23-19-13-11-18(12-14-19)22-21-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24)/b22-21+
InChIKeyKYGCRIRACAJUHB-QURGRASLSA-N
XLogP6.83
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
CID 136723444
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 176870941
(2,6-dimethylphenyl)-(4-iodophenyl)diazene
CID 141484740
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
N-chloro-4-phenyldiazenylaniline
CID 88790195
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
2-methylaniline;2-methylbenzene-1,4-diamine;2-methyl-4-phenyldiazenylaniline
CID 159282713
diphenyldiazene;hydrofluoride
CID 174857584
4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline
CID 166751839

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline?
The IUPAC name of N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline (CID 86015373) is N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline.
What is the SMILES notation for N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline?
The canonical SMILES for N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline is Cc1cccc(C)c1/N=N/Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline?
The InChIKey is KYGCRIRACAJUHB-QURGRASLSA-N. The full InChI is InChI=1S/C20H19N5/c1-15-7-6-8-16(2)20(15)24-25-23-19-13-11-18(12-14-19)22-21-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24)/b22-21+.
What are the key properties of N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline?
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline has a molecular weight of 329.41 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline is sourced from PubChem (CID 86015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).