benzene;iron(3+);methylbenzene

C19H17Fe — CID 150330156

IUPACbenzene;iron(3+);methylbenzene
SMILESCc1[c-]cccc1.[Fe+3].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C7H7.2C6H5.Fe/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;/h2-5H,1H3;2*1-5H;/q3*-1;+3
InChIKeyJHNNSMLLFMLGRQ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.77
Rot. Bonds

About benzene;iron(3+);methylbenzene

benzene;iron(3+);methylbenzene (PubChem CID 150330156) has the molecular formula C19H17Fe and a molecular weight of 301.19 g/mol. Its IUPAC name is benzene;iron(3+);methylbenzene.

Molecular Properties

Compound Namebenzene;iron(3+);methylbenzene
PubChem CID150330156
Molecular FormulaC19H17Fe
Molecular Weight301.19 g/mol
Exact Mass301.07
IUPAC Namebenzene;iron(3+);methylbenzene
SMILESCc1[c-]cccc1.[Fe+3].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C7H7.2C6H5.Fe/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;/h2-5H,1H3;2*1-5H;/q3*-1;+3
InChIKeyJHNNSMLLFMLGRQ-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iron;methylbenzene
CID 134850166
methylbenzene;praseodymium
CID 59896436
methylbenzene;tungsten
CID 58867867
zinc;methylbenzene;chloride
CID 22283008
carbanide;methylbenzene;uranium(2+)
CID 20703759
bromozinc(1+);methylbenzene
CID 54768244
iron(3+);methylbenzene;dinitrite
CID 156779834
carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
CID 161381388
methylbenzene;propanoic acid;zinc
CID 175093711
benzene;carbanide;toluene;tungsten(2+)
CID 143728683
methylbenzene;molybdenum(4+);tricarbamodithioate
CID 158998046
benzene;benzene;ethane;naphthalene;yttrium
CID 158762188

Frequently Asked Questions

What is the IUPAC name of benzene;iron(3+);methylbenzene?
The IUPAC name of benzene;iron(3+);methylbenzene (CID 150330156) is benzene;iron(3+);methylbenzene.
What is the SMILES notation for benzene;iron(3+);methylbenzene?
The canonical SMILES for benzene;iron(3+);methylbenzene is Cc1[c-]cccc1.[Fe+3].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;iron(3+);methylbenzene?
The InChIKey is JHNNSMLLFMLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.2C6H5.Fe/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;/h2-5H,1H3;2*1-5H;/q3*-1;+3.
What are the key properties of benzene;iron(3+);methylbenzene?
benzene;iron(3+);methylbenzene has a molecular weight of 301.19 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;iron(3+);methylbenzene is sourced from PubChem (CID 150330156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).