7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)

C23H48FeN2Si2+2 — CID 11963882

IUPAC7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
SMILESC1CCN2CC3CC(CN4CCCCC34)C2C1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+4]
InChIInChI=1S/C15H26N2.2C4H11Si.Fe/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2*1-5(2,3)4;/h12-15H,1-11H2;2*1H2,2-4H3;/q;2*-1;+4
InChIKeyHEOPHQROTNTPGU-UHFFFAOYSA-N
MW464.67 g/mol
LogP5.74
Rot. Bonds

About 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane) (PubChem CID 11963882) has the molecular formula C23H48FeN2Si2+2 and a molecular weight of 464.67 g/mol. Its IUPAC name is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane).

Molecular Properties

Compound Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
PubChem CID11963882
Molecular FormulaC23H48FeN2Si2+2
Molecular Weight464.67 g/mol
Exact Mass464.27
IUPAC Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
SMILESC1CCN2CC3CC(CN4CCCCC34)C2C1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+4]
InChIInChI=1S/C15H26N2.2C4H11Si.Fe/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2*1-5(2,3)4;/h12-15H,1-11H2;2*1H2,2-4H3;/q;2*-1;+4
InChIKeyHEOPHQROTNTPGU-UHFFFAOYSA-N
XLogP5.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.67
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)?
The IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane) (CID 11963882) is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane).
What is the SMILES notation for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)?
The canonical SMILES for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane) is C1CCN2CC3CC(CN4CCCCC34)C2C1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Fe+4].
What is the InChIKey of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)?
The InChIKey is HEOPHQROTNTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.2C4H11Si.Fe/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2*1-5(2,3)4;/h12-15H,1-11H2;2*1H2,2-4H3;/q;2*-1;+4.
What are the key properties of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)?
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane) has a molecular weight of 464.67 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 11963882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).