zinc bis(1H-naphthalen-1-ide)

C20H14Zn — CID 54742063

IUPACzinc bis(1H-naphthalen-1-ide)
SMILES[Zn+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12
InChIInChI=1S/2C10H7.Zn/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-7H;/q2*-1;+2
InChIKeyXIEXKQGOAZTVME-UHFFFAOYSA-N
MW319.72 g/mol
LogP5.28
Rot. Bonds

About zinc bis(1H-naphthalen-1-ide)

zinc bis(1H-naphthalen-1-ide) (PubChem CID 54742063) has the molecular formula C20H14Zn and a molecular weight of 319.72 g/mol. Its IUPAC name is zinc bis(1H-naphthalen-1-ide).

Molecular Properties

Compound Namezinc bis(1H-naphthalen-1-ide)
PubChem CID54742063
Molecular FormulaC20H14Zn
Molecular Weight319.72 g/mol
Exact Mass318.04
IUPAC Namezinc bis(1H-naphthalen-1-ide)
SMILES[Zn+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12
InChIInChI=1S/2C10H7.Zn/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-7H;/q2*-1;+2
InChIKeyXIEXKQGOAZTVME-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.72
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc bis(1H-naphthalen-1-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(1H-naphthalen-1-ide);thorium(4+)
CID 159130001
lithium;carbon monoxide;chromium;1H-naphthalen-1-ide
CID 134898743
diphenylphosphane;bis(1H-naphthalen-1-ide);palladium(2+)
CID 174537984
dichloropalladium;bis(diphenylphosphane);bis(1H-naphthalen-1-ide)
CID 156694955
bis(1H-naphthalen-1-ide);bis(naphthalen-1-ol);oxotitanium(2+)
CID 88801704
1,7-dihydronaphthalene-1,7-diide;bis(yttrium)
CID 155760532
cerium;1H-phenanthren-1-ide
CID 175872569
1,8-dihydronaphthalene-1,8-diide;uranium;vanadium
CID 59779328
lithium 8H-naphthalen-8-ide-2-sulfonic acid
CID 174758824
iridium;phenylbenzene
CID 58599975
trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
CID 19737531
9H-benzo[g]quinolin-9-ide
CID 102325536

Frequently Asked Questions

What is the IUPAC name of zinc bis(1H-naphthalen-1-ide)?
The IUPAC name of zinc bis(1H-naphthalen-1-ide) (CID 54742063) is zinc bis(1H-naphthalen-1-ide).
What is the SMILES notation for zinc bis(1H-naphthalen-1-ide)?
The canonical SMILES for zinc bis(1H-naphthalen-1-ide) is [Zn+2].[c-]1cccc2ccccc12.[c-]1cccc2ccccc12.
What is the InChIKey of zinc bis(1H-naphthalen-1-ide)?
The InChIKey is XIEXKQGOAZTVME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7.Zn/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-7H;/q2*-1;+2.
What are the key properties of zinc bis(1H-naphthalen-1-ide)?
zinc bis(1H-naphthalen-1-ide) has a molecular weight of 319.72 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1H-naphthalen-1-ide) is sourced from PubChem (CID 54742063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).