[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)

C20H24N4Pt — CID 44626415

IUPAC[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)
SMILESCc1c(C)c2cccnc2c2ncccc12.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C14H12N2.C6H12N2.Pt/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;7-5-3-1-2-4-6(5)8;/h3-8H,1-2H3;5-8H,1-4H2;/q;-2;+2/t;5-,6-;/m.1./s1
InChIKeyLFRUWKVHWXTOQR-JGHXHLRYSA-N
MW515.52 g/mol
LogP5.80
Rot. Bonds

About [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)

[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+) (PubChem CID 44626415) has the molecular formula C20H24N4Pt and a molecular weight of 515.52 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)
PubChem CID44626415
Molecular FormulaC20H24N4Pt
Molecular Weight515.52 g/mol
Exact Mass515.16
IUPAC Name[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)
SMILESCc1c(C)c2cccnc2c2ncccc12.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C14H12N2.C6H12N2.Pt/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;7-5-3-1-2-4-6(5)8;/h3-8H,1-2H3;5-8H,1-4H2;/q;-2;+2/t;5-,6-;/m.1./s1
InChIKeyLFRUWKVHWXTOQR-JGHXHLRYSA-N
XLogP5.80
TPSA73.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)?
The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+) (CID 44626415) is [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+).
What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)?
The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+) is Cc1c(C)c2cccnc2c2ncccc12.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)?
The InChIKey is LFRUWKVHWXTOQR-JGHXHLRYSA-N. The full InChI is InChI=1S/C14H12N2.C6H12N2.Pt/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;7-5-3-1-2-4-6(5)8;/h3-8H,1-2H3;5-8H,1-4H2;/q;-2;+2/t;5-,6-;/m.1./s1.
What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)?
[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+) has a molecular weight of 515.52 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+) is sourced from PubChem (CID 44626415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).