2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline

C24H19N7 — CID 56927616

IUPAC2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1/N=N\c1ccccc1/N=N\c1ccccc1
InChIInChI=1S/C24H19N7/c25-19-12-4-5-13-20(19)27-29-23-16-8-9-17-24(23)31-30-22-15-7-6-14-21(22)28-26-18-10-2-1-3-11-18/h1-17H,25H2/b28-26-,29-27+,31-30-
InChIKeyZQXMCNVEPMYHNF-PUQKBYNJSA-N
MW405.47 g/mol
LogP8.52
Rot. Bonds6

About 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline

2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline (PubChem CID 56927616) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline.

Molecular Properties

Compound Name2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
PubChem CID56927616
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1/N=N\c1ccccc1/N=N\c1ccccc1
InChIInChI=1S/C24H19N7/c25-19-12-4-5-13-20(19)27-29-23-16-8-9-17-24(23)31-30-22-15-7-6-14-21(22)28-26-18-10-2-1-3-11-18/h1-17H,25H2/b28-26-,29-27+,31-30-
InChIKeyZQXMCNVEPMYHNF-PUQKBYNJSA-N
XLogP8.52
TPSA100.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The IUPAC name of 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline (CID 56927616) is 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline.
What is the SMILES notation for 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The canonical SMILES for 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline is Nc1ccccc1/N=N/c1ccccc1/N=N\c1ccccc1/N=N\c1ccccc1.
What is the InChIKey of 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The InChIKey is ZQXMCNVEPMYHNF-PUQKBYNJSA-N. The full InChI is InChI=1S/C24H19N7/c25-19-12-4-5-13-20(19)27-29-23-16-8-9-17-24(23)31-30-22-15-7-6-14-21(22)28-26-18-10-2-1-3-11-18/h1-17H,25H2/b28-26-,29-27+,31-30-.
What are the key properties of 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline has a molecular weight of 405.47 g/mol, XLogP of 8.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline is sourced from PubChem (CID 56927616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).