carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium

C15H15N2O2Pd- — CID 159944581

IUPACcarbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium
SMILES[CH3-].[O-]/[N+]1=[N+](\[O-])c2ccccc2CCc2ccccc21.[Pd]
InChIInChI=1S/C14H12N2O2.CH3.Pd/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18;;/h1-8H,9-10H2;1H3;/q;-1;/b16-15-;;
InChIKeyKTAGZVMMJBRZLW-NDXGFPCWSA-N
MW361.72 g/mol
LogP3.67
Rot. Bonds

About carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium

carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium (PubChem CID 159944581) has the molecular formula C15H15N2O2Pd- and a molecular weight of 361.72 g/mol. Its IUPAC name is carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium.

Molecular Properties

Compound Namecarbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium
PubChem CID159944581
Molecular FormulaC15H15N2O2Pd-
Molecular Weight361.72 g/mol
Exact Mass361.02
IUPAC Namecarbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium
SMILES[CH3-].[O-]/[N+]1=[N+](\[O-])c2ccccc2CCc2ccccc21.[Pd]
InChIInChI=1S/C14H12N2O2.CH3.Pd/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18;;/h1-8H,9-10H2;1H3;/q;-1;/b16-15-;;
InChIKeyKTAGZVMMJBRZLW-NDXGFPCWSA-N
XLogP3.67
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium?
The IUPAC name of carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium (CID 159944581) is carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium.
What is the SMILES notation for carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium?
The canonical SMILES for carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium is [CH3-].[O-]/[N+]1=[N+](\[O-])c2ccccc2CCc2ccccc21.[Pd].
What is the InChIKey of carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium?
The InChIKey is KTAGZVMMJBRZLW-NDXGFPCWSA-N. The full InChI is InChI=1S/C14H12N2O2.CH3.Pd/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18;;/h1-8H,9-10H2;1H3;/q;-1;/b16-15-;;.
What are the key properties of carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium?
carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium has a molecular weight of 361.72 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(5Z)-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium;palladium is sourced from PubChem (CID 159944581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).