azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide

C16H13N4Pd-3 — CID 171726760

IUPACazanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide
SMILES[NH2-].[NH2-].[Pd].[c-]1cccc2c1c1nccnc1c1ccccc21
InChIInChI=1S/C16H9N2.2H2N.Pd/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;;;/h1-7,9-10H;2*1H2;/q3*-1;
InChIKeyJDNZNOPBOFDSBI-UHFFFAOYSA-N
MW367.73 g/mol
LogP5.17
Rot. Bonds

About azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide

azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide (PubChem CID 171726760) has the molecular formula C16H13N4Pd-3 and a molecular weight of 367.73 g/mol. Its IUPAC name is azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide.

Molecular Properties

Compound Nameazanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide
PubChem CID171726760
Molecular FormulaC16H13N4Pd-3
Molecular Weight367.73 g/mol
Exact Mass367.02
IUPAC Nameazanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide
SMILES[NH2-].[NH2-].[Pd].[c-]1cccc2c1c1nccnc1c1ccccc21
InChIInChI=1S/C16H9N2.2H2N.Pd/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;;;/h1-7,9-10H;2*1H2;/q3*-1;
InChIKeyJDNZNOPBOFDSBI-UHFFFAOYSA-N
XLogP5.17
TPSA92.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.73
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
tris(3-(4-tert-butylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide);iridium(3+)
CID 58224667
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
7,10,19,22,32,35,44,47-octazaundecacyclo[26.22.0.03,26.05,24.06,11.012,17.018,23.030,49.031,36.037,42.043,48]pentaconta-1(28),3(26),4,6,8,10,12,14,16,18,20,22,24,29,31,33,35,37,39,41,43,45,47,49-tetracosaene-2,27-dione
CID 58731966
5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide
CID 146691033
10-bromophenanthro[9,10-b]pyrazine
CID 58224572
lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
CID 58944095
CID 58944095
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457

Frequently Asked Questions

What is the IUPAC name of azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide?
The IUPAC name of azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide (CID 171726760) is azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide.
What is the SMILES notation for azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide?
The canonical SMILES for azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide is [NH2-].[NH2-].[Pd].[c-]1cccc2c1c1nccnc1c1ccccc21.
What is the InChIKey of azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide?
The InChIKey is JDNZNOPBOFDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N2.2H2N.Pd/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;;;/h1-7,9-10H;2*1H2;/q3*-1;.
What are the key properties of azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide?
azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide has a molecular weight of 367.73 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;palladium;5H-phenanthro[9,10-b]pyrazin-5-ide is sourced from PubChem (CID 171726760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).