N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline

C36H28N12 — CID 136797949

IUPACN-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
SMILESc1ccc(/N=N/c2ccc(/N=N/Nc3ccc(/N=N/c4ccc(N/N=N/c5ccc(/N=N/c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N12/c1-3-7-27(8-4-1)37-39-29-11-19-33(20-12-29)43-47-45-35-23-15-31(16-24-35)41-42-32-17-25-36(26-18-32)46-48-44-34-21-13-30(14-22-34)40-38-28-9-5-2-6-10-28/h1-26H,(H,43,45)(H,44,46)/b39-37+,40-38+,42-41+
InChIKeyNWHDIODDMVSVHO-GSZCCKEHSA-N
MW628.70 g/mol
LogP13.15
Rot. Bonds12

About N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline

N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline (PubChem CID 136797949) has the molecular formula C36H28N12 and a molecular weight of 628.70 g/mol. Its IUPAC name is N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
PubChem CID136797949
Molecular FormulaC36H28N12
Molecular Weight628.70 g/mol
Exact Mass628.26
IUPAC NameN-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
SMILESc1ccc(/N=N/c2ccc(/N=N/Nc3ccc(/N=N/c4ccc(N/N=N/c5ccc(/N=N/c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N12/c1-3-7-27(8-4-1)37-39-29-11-19-33(20-12-29)43-47-45-35-23-15-31(16-24-35)41-42-32-17-25-36(26-18-32)46-48-44-34-21-13-30(14-22-34)40-38-28-9-5-2-6-10-28/h1-26H,(H,43,45)(H,44,46)/b39-37+,40-38+,42-41+
InChIKeyNWHDIODDMVSVHO-GSZCCKEHSA-N
XLogP13.15
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.70
LogP ≤ 513.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
CID 136723444
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
CID 86015373
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 176870941
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
N-chloro-4-phenyldiazenylaniline
CID 88790195
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
diphenyldiazene;hydrofluoride
CID 174857584
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
bis(diphenyldiazene);uranium;vanadium
CID 158886927
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline?
The IUPAC name of N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline (CID 136797949) is N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline.
What is the SMILES notation for N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline?
The canonical SMILES for N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline is c1ccc(/N=N/c2ccc(/N=N/Nc3ccc(/N=N/c4ccc(N/N=N/c5ccc(/N=N/c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline?
The InChIKey is NWHDIODDMVSVHO-GSZCCKEHSA-N. The full InChI is InChI=1S/C36H28N12/c1-3-7-27(8-4-1)37-39-29-11-19-33(20-12-29)43-47-45-35-23-15-31(16-24-35)41-42-32-17-25-36(26-18-32)46-48-44-34-21-13-30(14-22-34)40-38-28-9-5-2-6-10-28/h1-26H,(H,43,45)(H,44,46)/b39-37+,40-38+,42-41+.
What are the key properties of N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline?
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline has a molecular weight of 628.70 g/mol, XLogP of 13.15, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline is sourced from PubChem (CID 136797949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).