4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline

C22H17N5 — CID 88557770

IUPAC4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H17N5/c23-16-10-12-18(13-11-16)25-27-22-15-14-21(19-8-4-5-9-20(19)22)26-24-17-6-2-1-3-7-17/h1-15H,23H2/b26-24+,27-25+
InChIKeyVISZCNKDHYVASL-OWUYFMIJSA-N
MW351.41 g/mol
LogP7.25
Rot. Bonds4

About 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline

4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline (PubChem CID 88557770) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
PubChem CID88557770
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H17N5/c23-16-10-12-18(13-11-16)25-27-22-15-14-21(19-8-4-5-9-20(19)22)26-24-17-6-2-1-3-7-17/h1-15H,23H2/b26-24+,27-25+
InChIKeyVISZCNKDHYVASL-OWUYFMIJSA-N
XLogP7.25
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
CID 131885167
4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
CID 20837891
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline?
The IUPAC name of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline (CID 88557770) is 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline.
What is the SMILES notation for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline?
The canonical SMILES for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline is Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline?
The InChIKey is VISZCNKDHYVASL-OWUYFMIJSA-N. The full InChI is InChI=1S/C22H17N5/c23-16-10-12-18(13-11-16)25-27-22-15-14-21(19-8-4-5-9-20(19)22)26-24-17-6-2-1-3-7-17/h1-15H,23H2/b26-24+,27-25+.
What are the key properties of 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline?
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline has a molecular weight of 351.41 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline is sourced from PubChem (CID 88557770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).