CID 139102046

C22H42ClCuGeN4 — CID 139102046

IUPAC—
SMILESC/C(=C/C(C)=N/C(C)C)N([Ge]Cl)C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+]
InChIInChI=1S/C11H21ClGeN2.C11H21N2.Cu/c1-8(2)14-10(5)7-11(6)15(13-12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,14-10+;10-7-,13-11+;
InChIKeySIQBLUGXHOXQAO-ACVSHTPZSA-N
MW534.22 g/mol
LogP6.78
Rot. Bonds9

About CID 139102046

CID 139102046 (PubChem CID 139102046) has the molecular formula C22H42ClCuGeN4 and a molecular weight of 534.22 g/mol.

Molecular Properties

Compound NameCID 139102046
PubChem CID139102046
Molecular FormulaC22H42ClCuGeN4
Molecular Weight534.22 g/mol
Exact Mass534.16
IUPAC Name—
SMILESC/C(=C/C(C)=N/C(C)C)N([Ge]Cl)C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+]
InChIInChI=1S/C11H21ClGeN2.C11H21N2.Cu/c1-8(2)14-10(5)7-11(6)15(13-12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,14-10+;10-7-,13-11+;
InChIKeySIQBLUGXHOXQAO-ACVSHTPZSA-N
XLogP6.78
TPSA42.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.22
LogP ≤ 56.78
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 139102046?
The IUPAC name of CID 139102046 (CID 139102046) is not available.
What is the SMILES notation for CID 139102046?
The canonical SMILES for CID 139102046 is C/C(=C/C(C)=N/C(C)C)N([Ge]Cl)C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+].
What is the InChIKey of CID 139102046?
The InChIKey is SIQBLUGXHOXQAO-ACVSHTPZSA-N. The full InChI is InChI=1S/C11H21ClGeN2.C11H21N2.Cu/c1-8(2)14-10(5)7-11(6)15(13-12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,14-10+;10-7-,13-11+;.
What are the key properties of CID 139102046?
CID 139102046 has a molecular weight of 534.22 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139102046 is sourced from PubChem (CID 139102046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).