bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate

C48H36Cd2Cr2N8O10 — CID 139076364

IUPACbis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
SMILESO.O.[Cd+2].[Cd+2].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.2Cd.2Cr.2H2O.8O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;;;;;;/h4*1-8H;;;;;2*1H2;;;;;;;;/q;;;;2*+2;2*+6;;;8*-2
InChIKeyPSFPPHWNVOXFHR-UHFFFAOYSA-N
MW1213.68 g/mol
LogP8.52
Rot. Bonds

About bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate

bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate (PubChem CID 139076364) has the molecular formula C48H36Cd2Cr2N8O10 and a molecular weight of 1213.68 g/mol. Its IUPAC name is bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate.

Molecular Properties

Compound Namebis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
PubChem CID139076364
Molecular FormulaC48H36Cd2Cr2N8O10
Molecular Weight1213.68 g/mol
Exact Mass1215.94
IUPAC Namebis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
SMILESO.O.[Cd+2].[Cd+2].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.2Cd.2Cr.2H2O.8O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;;;;;;/h4*1-8H;;;;;2*1H2;;;;;;;;/q;;;;2*+2;2*+6;;;8*-2
InChIKeyPSFPPHWNVOXFHR-UHFFFAOYSA-N
XLogP8.52
TPSA394.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.68
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate?
The IUPAC name of bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate (CID 139076364) is bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate.
What is the SMILES notation for bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate?
The canonical SMILES for bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate is O.O.[Cd+2].[Cd+2].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate?
The InChIKey is PSFPPHWNVOXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H8N2.2Cd.2Cr.2H2O.8O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;;;;;;/h4*1-8H;;;;;2*1H2;;;;;;;;/q;;;;2*+2;2*+6;;;8*-2.
What are the key properties of bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate?
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate has a molecular weight of 1213.68 g/mol, XLogP of 8.52, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate is sourced from PubChem (CID 139076364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).