7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

C16H12N4O2 — CID 101304417

IUPAC7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESNc1cccc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc12
InChIInChI=1S/C16H12N4O2/c17-16-3-1-2-11-4-5-13(10-15(11)16)19-18-12-6-8-14(9-7-12)20(21)22/h1-10H,17H2/b19-18+
InChIKeyXXVDCJILLOIHSZ-VHEBQXMUSA-N
MW292.30 g/mol
LogP4.75
Rot. Bonds3

About 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine

7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (PubChem CID 101304417) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound Name7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
PubChem CID101304417
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
SMILESNc1cccc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc12
InChIInChI=1S/C16H12N4O2/c17-16-3-1-2-11-4-5-13(10-15(11)16)19-18-12-6-8-14(9-7-12)20(21)22/h1-10H,17H2/b19-18+
InChIKeyXXVDCJILLOIHSZ-VHEBQXMUSA-N
XLogP4.75
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
(4-nitrophenyl)-phenyldiazene
CID 17222
sodium;8-amino-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;hydride
CID 175238217
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
CID 165358995
bis(3-nitrophenyl)diazene
CID 10858607
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
diphenyldiazene;naphthalen-1-amine
CID 159387194
methyl-(4-nitrophenyl)diazene
CID 20760343
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
sodium 3-hydroxy-4-[(8-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
CID 135544125
2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
CID 136771287

Frequently Asked Questions

What is the IUPAC name of 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine (CID 101304417) is 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is Nc1cccc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc12.
What is the InChIKey of 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
The InChIKey is XXVDCJILLOIHSZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-16-3-1-2-11-4-5-13(10-15(11)16)19-18-12-6-8-14(9-7-12)20(21)22/h1-10H,17H2/b19-18+.
What are the key properties of 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine?
7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine has a molecular weight of 292.30 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 101304417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).