4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline

C24H19N7 — CID 71332869

IUPAC4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H19N7/c25-18-6-8-20(9-7-18)27-29-22-14-16-24(17-15-22)31-30-23-12-10-21(11-13-23)28-26-19-4-2-1-3-5-19/h1-17H,25H2/b28-26+,29-27+,31-30+
InChIKeyMRIJBDKPDKSIQM-CRUGTQLSSA-N
MW405.47 g/mol
LogP8.52
Rot. Bonds6

About 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline

4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline (PubChem CID 71332869) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline.

Molecular Properties

Compound Name4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
PubChem CID71332869
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H19N7/c25-18-6-8-20(9-7-18)27-29-22-14-16-24(17-15-22)31-30-23-12-10-21(11-13-23)28-26-19-4-2-1-3-5-19/h1-17H,25H2/b28-26+,29-27+,31-30+
InChIKeyMRIJBDKPDKSIQM-CRUGTQLSSA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
diphenyldiazene;urea
CID 175083568
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
2-methylaniline;2-methylbenzene-1,4-diamine;2-methyl-4-phenyldiazenylaniline
CID 159282713
2-iodo-4-phenyldiazenylaniline
CID 86147627
3,5-dibromo-4-phenyldiazenylaniline
CID 71330530
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The IUPAC name of 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline (CID 71332869) is 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline.
What is the SMILES notation for 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The canonical SMILES for 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline is Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
The InChIKey is MRIJBDKPDKSIQM-CRUGTQLSSA-N. The full InChI is InChI=1S/C24H19N7/c25-18-6-8-20(9-7-18)27-29-22-14-16-24(17-15-22)31-30-23-12-10-21(11-13-23)28-26-19-4-2-1-3-5-19/h1-17H,25H2/b28-26+,29-27+,31-30+.
What are the key properties of 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline?
4-[[4-[(4-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 4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline is sourced from PubChem (CID 71332869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).