bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate

C72H62Cd2Cl4N12O23 — CID 139060905

IUPACbis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate
SMILESO.O.O.O.O.O.O.[Cd+2].[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.2Cd.4ClHO4.7H2O/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*2-1(3,4)5;;;;;;;/h6*1-8H;;;4*(H,2,3,4,5);7*1H2/q;;;;;;2*+2;;;;;;;;;;;/p-4
InChIKeyXIDVSBSVAQNONO-UHFFFAOYSA-J
MW1829.98 g/mol
LogP-8.10
Rot. Bonds

About bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate

bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate (PubChem CID 139060905) has the molecular formula C72H62Cd2Cl4N12O23 and a molecular weight of 1829.98 g/mol. Its IUPAC name is bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate.

Molecular Properties

Compound Namebis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate
PubChem CID139060905
Molecular FormulaC72H62Cd2Cl4N12O23
Molecular Weight1829.98 g/mol
Exact Mass1830.09
IUPAC Namebis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate
SMILESO.O.O.O.O.O.O.[Cd+2].[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.2Cd.4ClHO4.7H2O/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*2-1(3,4)5;;;;;;;/h6*1-8H;;;4*(H,2,3,4,5);7*1H2/q;;;;;;2*+2;;;;;;;;;;;/p-4
InChIKeyXIDVSBSVAQNONO-UHFFFAOYSA-J
XLogP-8.10
TPSA744.14 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001829.98
LogP ≤ 5-8.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
tris(1,10-phenanthroline)cobalt(III) trichloride pentahydrate
CID 146012815
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381

Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate?
The IUPAC name of bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate (CID 139060905) is bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate.
What is the SMILES notation for bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate?
The canonical SMILES for bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate is O.O.O.O.O.O.O.[Cd+2].[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate?
The InChIKey is XIDVSBSVAQNONO-UHFFFAOYSA-J. The full InChI is InChI=1S/6C12H8N2.2Cd.4ClHO4.7H2O/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*2-1(3,4)5;;;;;;;/h6*1-8H;;;4*(H,2,3,4,5);7*1H2/q;;;;;;2*+2;;;;;;;;;;;/p-4.
What are the key properties of bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate?
bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate has a molecular weight of 1829.98 g/mol, XLogP of -8.10, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));hexakis(1,10-phenanthroline);tetraperchlorate;heptahydrate is sourced from PubChem (CID 139060905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).