CID 11773810

C25H25FeN+2 — CID 11773810

IUPAC—
SMILESC[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1cccc2ccccc12.[Fe+2]
InChIInChI=1S/C25H25N.Fe/c1-19(23-16-8-14-21-11-6-7-15-24(21)23)26-25(22-12-4-5-13-22)18-17-20-9-2-3-10-20;/h2-16,19,25-26H,17-18H2,1H3;/q;+2/t19-,25+;/m0./s1
InChIKeyRQFMMQRTPMMTAG-SVZHALOMSA-N
MW395.33 g/mol
LogP5.45
Rot. Bonds7

About CID 11773810

CID 11773810 (PubChem CID 11773810) has the molecular formula C25H25FeN+2 and a molecular weight of 395.33 g/mol.

Molecular Properties

Compound NameCID 11773810
PubChem CID11773810
Molecular FormulaC25H25FeN+2
Molecular Weight395.33 g/mol
Exact Mass395.13
IUPAC Name—
SMILESC[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1cccc2ccccc12.[Fe+2]
InChIInChI=1S/C25H25N.Fe/c1-19(23-16-8-14-21-11-6-7-15-24(21)23)26-25(22-12-4-5-13-22)18-17-20-9-2-3-10-20;/h2-16,19,25-26H,17-18H2,1H3;/q;+2/t19-,25+;/m0./s1
InChIKeyRQFMMQRTPMMTAG-SVZHALOMSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 11773810?
The IUPAC name of CID 11773810 (CID 11773810) is not available.
What is the SMILES notation for CID 11773810?
The canonical SMILES for CID 11773810 is C[C@H](N[C@H](CC[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1)c1cccc2ccccc12.[Fe+2].
What is the InChIKey of CID 11773810?
The InChIKey is RQFMMQRTPMMTAG-SVZHALOMSA-N. The full InChI is InChI=1S/C25H25N.Fe/c1-19(23-16-8-14-21-11-6-7-15-24(21)23)26-25(22-12-4-5-13-22)18-17-20-9-2-3-10-20;/h2-16,19,25-26H,17-18H2,1H3;/q;+2/t19-,25+;/m0./s1.
What are the key properties of CID 11773810?
CID 11773810 has a molecular weight of 395.33 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11773810 is sourced from PubChem (CID 11773810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).