(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide

C18H12N4 — CID 14612181

IUPAC(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
SMILESN#C/C(=N\N=N\c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H12N4/c19-13-18(21-22-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H/b21-18+,22-20+
InChIKeyAFLOWOUTRIWXOY-MVWNKOIHSA-N
MW284.32 g/mol
LogP4.85
Rot. Bonds3

About (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide

(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide (PubChem CID 14612181) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
PubChem CID14612181
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
SMILESN#C/C(=N\N=N\c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H12N4/c19-13-18(21-22-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H/b21-18+,22-20+
InChIKeyAFLOWOUTRIWXOY-MVWNKOIHSA-N
XLogP4.85
TPSA60.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide?
The IUPAC name of (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide (CID 14612181) is (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide.
What is the SMILES notation for (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide?
The canonical SMILES for (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide is N#C/C(=N\N=N\c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide?
The InChIKey is AFLOWOUTRIWXOY-MVWNKOIHSA-N. The full InChI is InChI=1S/C18H12N4/c19-13-18(21-22-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H/b21-18+,22-20+.
What are the key properties of (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide?
(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide has a molecular weight of 284.32 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide is sourced from PubChem (CID 14612181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).