carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron

C19H27Fe-7 — CID 176655072

IUPACcarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.5CH3.Fe/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;;;;/h1-7H;1-5H;5*1H3;/q7*-1;
InChIKeyQCOTUQBYHAKDMM-UHFFFAOYSA-N
MW311.27 g/mol
LogP6.21
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron (PubChem CID 176655072) has the molecular formula C19H27Fe-7 and a molecular weight of 311.27 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
PubChem CID176655072
Molecular FormulaC19H27Fe-7
Molecular Weight311.27 g/mol
Exact Mass311.15
IUPAC Namecarbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.5CH3.Fe/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;;;;/h1-7H;1-5H;5*1H3;/q7*-1;
InChIKeyQCOTUQBYHAKDMM-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.27
LogP ≤ 56.21
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

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron?
The IUPAC name of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron (CID 176655072) is carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron is [CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron?
The InChIKey is QCOTUQBYHAKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.5CH3.Fe/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;;;;/h1-7H;1-5H;5*1H3;/q7*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron?
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron has a molecular weight of 311.27 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron is sourced from PubChem (CID 176655072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).