3-phenyldiazenylnaphthalen-1-amine

C16H13N3 — CID 156686979

IUPAC3-phenyldiazenylnaphthalen-1-amine
SMILESNc1cc(/N=N/c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13N3/c17-16-11-14(10-12-6-4-5-9-15(12)16)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+
InChIKeyMNYPHKJPYOZQHL-VHEBQXMUSA-N
MW247.30 g/mol
LogP4.84
Rot. Bonds2

About 3-phenyldiazenylnaphthalen-1-amine

3-phenyldiazenylnaphthalen-1-amine (PubChem CID 156686979) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-phenyldiazenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-phenyldiazenylnaphthalen-1-amine
PubChem CID156686979
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name3-phenyldiazenylnaphthalen-1-amine
SMILESNc1cc(/N=N/c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H13N3/c17-16-11-14(10-12-6-4-5-9-15(12)16)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+
InChIKeyMNYPHKJPYOZQHL-VHEBQXMUSA-N
XLogP4.84
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

diphenyldiazene;naphthalen-1-amine
CID 159387194
3-azidonaphthalen-1-amine
CID 21162853
4-aminonaphthalene-2-thiol
CID 22336615
phenanthren-9-amine
CID 13695
diphenyldiazene;hydrofluoride
CID 174857584
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
3-ethenylnaphthalen-1-amine
CID 150338788
bis(diphenyldiazene);uranium;vanadium
CID 158886927
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
4-phenyldiazenylbenzene-1,2,3,5-tetramine
CID 175027546
2-iodo-4-phenyldiazenylaniline
CID 86147627
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylnaphthalen-1-amine?
The IUPAC name of 3-phenyldiazenylnaphthalen-1-amine (CID 156686979) is 3-phenyldiazenylnaphthalen-1-amine.
What is the SMILES notation for 3-phenyldiazenylnaphthalen-1-amine?
The canonical SMILES for 3-phenyldiazenylnaphthalen-1-amine is Nc1cc(/N=N/c2ccccc2)cc2ccccc12.
What is the InChIKey of 3-phenyldiazenylnaphthalen-1-amine?
The InChIKey is MNYPHKJPYOZQHL-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3/c17-16-11-14(10-12-6-4-5-9-15(12)16)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+.
What are the key properties of 3-phenyldiazenylnaphthalen-1-amine?
3-phenyldiazenylnaphthalen-1-amine has a molecular weight of 247.30 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylnaphthalen-1-amine is sourced from PubChem (CID 156686979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).