9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron

C24H21FeNO-6 — CID 174783633

IUPAC9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron
SMILESCC(=O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C7H7O.C5H5.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h1-8,13H;2-5H,1H3;1-5H;/q;-1;-5;
InChIKeyDQKXWBVMVSYJGX-UHFFFAOYSA-N
MW395.28 g/mol
LogP6.33
Rot. Bonds1

About 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron

9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron (PubChem CID 174783633) has the molecular formula C24H21FeNO-6 and a molecular weight of 395.28 g/mol. Its IUPAC name is 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron.

Molecular Properties

Compound Name9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron
PubChem CID174783633
Molecular FormulaC24H21FeNO-6
Molecular Weight395.28 g/mol
Exact Mass395.10
IUPAC Name9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron
SMILESCC(=O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C7H7O.C5H5.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h1-8,13H;2-5H,1H3;1-5H;/q;-1;-5;
InChIKeyDQKXWBVMVSYJGX-UHFFFAOYSA-N
XLogP6.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron?
The IUPAC name of 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron (CID 174783633) is 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron.
What is the SMILES notation for 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron?
The canonical SMILES for 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron is CC(=O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron?
The InChIKey is DQKXWBVMVSYJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C7H7O.C5H5.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h1-8,13H;2-5H,1H3;1-5H;/q;-1;-5;.
What are the key properties of 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron?
9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron has a molecular weight of 395.28 g/mol, XLogP of 6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron is sourced from PubChem (CID 174783633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).