CID 11633396

C27H24FeN2+2 — CID 11633396

IUPAC—
SMILESCN(C)c1ccnc([C]2[CH][CH][CH][C]2c2cccc3ccccc23)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C22H19N2.C5H5.Fe/c1-24(2)17-13-14-23-22(15-17)21-12-6-11-20(21)19-10-5-8-16-7-3-4-9-18(16)19;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q;;+2
InChIKeyDXEOZIXDEXWPTR-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.49
Rot. Bonds3

About CID 11633396

CID 11633396 (PubChem CID 11633396) has the molecular formula C27H24FeN2+2 and a molecular weight of 432.35 g/mol.

Molecular Properties

Compound NameCID 11633396
PubChem CID11633396
Molecular FormulaC27H24FeN2+2
Molecular Weight432.35 g/mol
Exact Mass432.13
IUPAC Name—
SMILESCN(C)c1ccnc([C]2[CH][CH][CH][C]2c2cccc3ccccc23)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C22H19N2.C5H5.Fe/c1-24(2)17-13-14-23-22(15-17)21-12-6-11-20(21)19-10-5-8-16-7-3-4-9-18(16)19;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q;;+2
InChIKeyDXEOZIXDEXWPTR-UHFFFAOYSA-N
XLogP5.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11633396?
The IUPAC name of CID 11633396 (CID 11633396) is not available.
What is the SMILES notation for CID 11633396?
The canonical SMILES for CID 11633396 is CN(C)c1ccnc([C]2[CH][CH][CH][C]2c2cccc3ccccc23)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11633396?
The InChIKey is DXEOZIXDEXWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2.C5H5.Fe/c1-24(2)17-13-14-23-22(15-17)21-12-6-11-20(21)19-10-5-8-16-7-3-4-9-18(16)19;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q;;+2.
What are the key properties of CID 11633396?
CID 11633396 has a molecular weight of 432.35 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11633396 is sourced from PubChem (CID 11633396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).