CID 139102050

C23H45CuGeN4 — CID 139102050

IUPAC—
SMILESC/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[Ge]N(/C(C)=C\C(C)=N\C(C)C)C(C)C.[Cu+]
InChIInChI=1S/C12H24GeN2.C11H21N2.Cu/c1-9(2)14-11(5)8-12(6)15(13-7)10(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h8-10H,1-7H3;7-9H,1-6H3;/q;-1;+1/b12-8-,14-11+;10-7-,13-11+;
InChIKeyVLUYTWPQAJINFO-BJJPEKBSSA-N
MW513.80 g/mol
LogP6.68
Rot. Bonds9

About CID 139102050

CID 139102050 (PubChem CID 139102050) has the molecular formula C23H45CuGeN4 and a molecular weight of 513.80 g/mol.

Molecular Properties

Compound NameCID 139102050
PubChem CID139102050
Molecular FormulaC23H45CuGeN4
Molecular Weight513.80 g/mol
Exact Mass514.22
IUPAC Name—
SMILESC/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[Ge]N(/C(C)=C\C(C)=N\C(C)C)C(C)C.[Cu+]
InChIInChI=1S/C12H24GeN2.C11H21N2.Cu/c1-9(2)14-11(5)8-12(6)15(13-7)10(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h8-10H,1-7H3;7-9H,1-6H3;/q;-1;+1/b12-8-,14-11+;10-7-,13-11+;
InChIKeyVLUYTWPQAJINFO-BJJPEKBSSA-N
XLogP6.68
TPSA42.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.80
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139102050?
The IUPAC name of CID 139102050 (CID 139102050) is not available.
What is the SMILES notation for CID 139102050?
The canonical SMILES for CID 139102050 is C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[Ge]N(/C(C)=C\C(C)=N\C(C)C)C(C)C.[Cu+].
What is the InChIKey of CID 139102050?
The InChIKey is VLUYTWPQAJINFO-BJJPEKBSSA-N. The full InChI is InChI=1S/C12H24GeN2.C11H21N2.Cu/c1-9(2)14-11(5)8-12(6)15(13-7)10(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h8-10H,1-7H3;7-9H,1-6H3;/q;-1;+1/b12-8-,14-11+;10-7-,13-11+;.
What are the key properties of CID 139102050?
CID 139102050 has a molecular weight of 513.80 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139102050 is sourced from PubChem (CID 139102050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).