palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide

C16H16NPd+ — CID 134830935

IUPACpalladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide
SMILES[Pd+2].[c-]1ccccc1C[N+]1=C2[CH-]C=CC=C2CCC1
InChIInChI=1S/C16H16N.Pd/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-5,7,9,11H,6,10,12-13H2;/q-1;+2
InChIKeyNZZPFJFRJVTOCV-UHFFFAOYSA-N
MW328.73 g/mol
LogP2.93
Rot. Bonds2

About palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide

palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide (PubChem CID 134830935) has the molecular formula C16H16NPd+ and a molecular weight of 328.73 g/mol. Its IUPAC name is palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide.

Molecular Properties

Compound Namepalladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide
PubChem CID134830935
Molecular FormulaC16H16NPd+
Molecular Weight328.73 g/mol
Exact Mass328.03
IUPAC Namepalladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide
SMILES[Pd+2].[c-]1ccccc1C[N+]1=C2[CH-]C=CC=C2CCC1
InChIInChI=1S/C16H16N.Pd/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-5,7,9,11H,6,10,12-13H2;/q-1;+2
InChIKeyNZZPFJFRJVTOCV-UHFFFAOYSA-N
XLogP2.93
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,6,8-trimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
CID 58291551
8-ethyl-6,6-dimethyl-1,9-di(propan-2-ylidene)-3,4-dihydro-2H-quinolizin-5-ium
CID 58291554
4,5,6,8,10,11-hexahydro-3H-isoindolo[1,2-a]isoquinolin-7-ium
CID 91070217
6-Ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
CID 122605928
ethane;6,6,8-trimethyl-1,9-dimethylidene-3,4-dihydro-2H-quinolizin-5-ium
CID 144036619
(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine
CID 168983879
7-Methylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
CID 101192510
6,6,8-trimethyl-1,9-dimethylidene-3,4-dihydro-2H-quinolizin-5-ium
CID 144036620

Frequently Asked Questions

What is the IUPAC name of palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide?
The IUPAC name of palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide (CID 134830935) is palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide.
What is the SMILES notation for palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide?
The canonical SMILES for palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide is [Pd+2].[c-]1ccccc1C[N+]1=C2[CH-]C=CC=C2CCC1.
What is the InChIKey of palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide?
The InChIKey is NZZPFJFRJVTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N.Pd/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-5,7,9,11H,6,10,12-13H2;/q-1;+2.
What are the key properties of palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide?
palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide has a molecular weight of 328.73 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);1-(phenylmethyl)-2,3,4,8-tetrahydroquinolin-1-ium-8-ide is sourced from PubChem (CID 134830935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).