cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron

C29H23Fe2N-8 — CID 174876633

IUPACcyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron
SMILES[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc2nc(-[c-]3cccc3)c(-[c-]3cccc3)cc2c1
InChIInChI=1S/C19H13N.2C5H5.2Fe/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15;2*1-2-4-5-3-1;;/h1-13H;2*1-5H;;/q-2;-5;-1;;
InChIKeySOZYQSBUKQBYEJ-UHFFFAOYSA-N
MW497.20 g/mol
LogP7.81
Rot. Bonds2

About cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron

cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron (PubChem CID 174876633) has the molecular formula C29H23Fe2N-8 and a molecular weight of 497.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron
PubChem CID174876633
Molecular FormulaC29H23Fe2N-8
Molecular Weight497.20 g/mol
Exact Mass497.06
IUPAC Namecyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron
SMILES[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc2nc(-[c-]3cccc3)c(-[c-]3cccc3)cc2c1
InChIInChI=1S/C19H13N.2C5H5.2Fe/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15;2*1-2-4-5-3-1;;/h1-13H;2*1-5H;;/q-2;-5;-1;;
InChIKeySOZYQSBUKQBYEJ-UHFFFAOYSA-N
XLogP7.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.20
LogP ≤ 57.81
H-Bond Donors ≤ 50
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 cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron (CID 174876633) is cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron is [Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc2nc(-[c-]3cccc3)c(-[c-]3cccc3)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron?
The InChIKey is SOZYQSBUKQBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.2C5H5.2Fe/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15;2*1-2-4-5-3-1;;/h1-13H;2*1-5H;;/q-2;-5;-1;;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron?
cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron has a molecular weight of 497.20 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;2,3-di(cyclopenta-2,4-dien-1-yl)quinoline;iron is sourced from PubChem (CID 174876633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).