naphthalen-1-ylmethyl(phenyl)azanide

C17H14N- — CID 101333964

IUPACnaphthalen-1-ylmethyl(phenyl)azanide
SMILESc1ccc([N-]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2/q-1
InChIKeyZKXNLBFQRYHBMT-UHFFFAOYSA-N
MW232.31 g/mol
LogP5.05
Rot. Bonds3

About naphthalen-1-ylmethyl(phenyl)azanide

naphthalen-1-ylmethyl(phenyl)azanide (PubChem CID 101333964) has the molecular formula C17H14N- and a molecular weight of 232.31 g/mol. Its IUPAC name is naphthalen-1-ylmethyl(phenyl)azanide.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl(phenyl)azanide
PubChem CID101333964
Molecular FormulaC17H14N-
Molecular Weight232.31 g/mol
Exact Mass232.11
IUPAC Namenaphthalen-1-ylmethyl(phenyl)azanide
SMILESc1ccc([N-]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2/q-1
InChIKeyZKXNLBFQRYHBMT-UHFFFAOYSA-N
XLogP5.05
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl(phenyl)azanide?
The IUPAC name of naphthalen-1-ylmethyl(phenyl)azanide (CID 101333964) is naphthalen-1-ylmethyl(phenyl)azanide.
What is the SMILES notation for naphthalen-1-ylmethyl(phenyl)azanide?
The canonical SMILES for naphthalen-1-ylmethyl(phenyl)azanide is c1ccc([N-]Cc2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-ylmethyl(phenyl)azanide?
The InChIKey is ZKXNLBFQRYHBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2/q-1.
What are the key properties of naphthalen-1-ylmethyl(phenyl)azanide?
naphthalen-1-ylmethyl(phenyl)azanide has a molecular weight of 232.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl(phenyl)azanide is sourced from PubChem (CID 101333964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).