N-[(2-phenyldiazenylphenyl)diazenyl]aniline

C18H15N5 — CID 71340001

IUPACN-[(2-phenyldiazenylphenyl)diazenyl]aniline
SMILESc1ccc(/N=N/c2ccccc2/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C18H15N5/c1-3-9-15(10-4-1)19-21-17-13-7-8-14-18(17)22-23-20-16-11-5-2-6-12-16/h1-14H,(H,20,22)/b21-19+
InChIKeyMJWQFJBXFQXLAR-XUTLUUPISA-N
MW301.35 g/mol
LogP6.21
Rot. Bonds5

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

N-[(2-phenyldiazenylphenyl)diazenyl]aniline (PubChem CID 71340001) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2-phenyldiazenylphenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-[(2-phenyldiazenylphenyl)diazenyl]aniline
PubChem CID71340001
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-[(2-phenyldiazenylphenyl)diazenyl]aniline
SMILESc1ccc(/N=N/c2ccccc2/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C18H15N5/c1-3-9-15(10-4-1)19-21-17-13-7-8-14-18(17)22-23-20-16-11-5-2-6-12-16/h1-14H,(H,20,22)/b21-19+
InChIKeyMJWQFJBXFQXLAR-XUTLUUPISA-N
XLogP6.21
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 56.21
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyldiazenylphenyl)diazenyl]aniline?
The IUPAC name of N-[(2-phenyldiazenylphenyl)diazenyl]aniline (CID 71340001) is N-[(2-phenyldiazenylphenyl)diazenyl]aniline.
What is the SMILES notation for N-[(2-phenyldiazenylphenyl)diazenyl]aniline?
The canonical SMILES for N-[(2-phenyldiazenylphenyl)diazenyl]aniline is c1ccc(/N=N/c2ccccc2/N=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(2-phenyldiazenylphenyl)diazenyl]aniline?
The InChIKey is MJWQFJBXFQXLAR-XUTLUUPISA-N. The full InChI is InChI=1S/C18H15N5/c1-3-9-15(10-4-1)19-21-17-13-7-8-14-18(17)22-23-20-16-11-5-2-6-12-16/h1-14H,(H,20,22)/b21-19+.
What are the key properties of N-[(2-phenyldiazenylphenyl)diazenyl]aniline?
N-[(2-phenyldiazenylphenyl)diazenyl]aniline has a molecular weight of 301.35 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyldiazenylphenyl)diazenyl]aniline is sourced from PubChem (CID 71340001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).