CID 11250797

C23H34BN6O2SiW — CID 11250797

IUPAC—
SMILESCC(C#[W+])[Si](C)(C)C.Cc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H21BN6.C6H13Si.2CO.W/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-6(2)7(3,4)5;2*1-2;/h7-9H,1-6H3;6H,1,3-5H3;;;/q-1;;;;+1
InChIKeyCMZMPKGJTXORFV-UHFFFAOYSA-N
MW649.30 g/mol
LogP4.20
Rot. Bonds4

About CID 11250797

CID 11250797 (PubChem CID 11250797) has the molecular formula C23H34BN6O2SiW and a molecular weight of 649.30 g/mol.

Molecular Properties

Compound NameCID 11250797
PubChem CID11250797
Molecular FormulaC23H34BN6O2SiW
Molecular Weight649.30 g/mol
Exact Mass649.21
IUPAC Name—
SMILESCC(C#[W+])[Si](C)(C)C.Cc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H21BN6.C6H13Si.2CO.W/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-6(2)7(3,4)5;2*1-2;/h7-9H,1-6H3;6H,1,3-5H3;;;/q-1;;;;+1
InChIKeyCMZMPKGJTXORFV-UHFFFAOYSA-N
XLogP4.20
TPSA93.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11250797?
The IUPAC name of CID 11250797 (CID 11250797) is not available.
What is the SMILES notation for CID 11250797?
The canonical SMILES for CID 11250797 is CC(C#[W+])[Si](C)(C)C.Cc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[C-]#[O+].[C-]#[O+].
What is the InChIKey of CID 11250797?
The InChIKey is CMZMPKGJTXORFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN6.C6H13Si.2CO.W/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-6(2)7(3,4)5;2*1-2;/h7-9H,1-6H3;6H,1,3-5H3;;;/q-1;;;;+1.
What are the key properties of CID 11250797?
CID 11250797 has a molecular weight of 649.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11250797 is sourced from PubChem (CID 11250797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).