cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)

C22H19FeP — CID 140891390

IUPACcyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
SMILESP[c-]1ccc(-c2ccccc2)c1-c1ccccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C17H14P.C5H5.Fe/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14;1-2-4-5-3-1;/h1-12H,18H2;1-5H;/q2*-1;+2
InChIKeyDEBPNOWFJLEATB-UHFFFAOYSA-N
MW370.21 g/mol
LogP5.64
Rot. Bonds2

About cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)

cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+) (PubChem CID 140891390) has the molecular formula C22H19FeP and a molecular weight of 370.21 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
PubChem CID140891390
Molecular FormulaC22H19FeP
Molecular Weight370.21 g/mol
Exact Mass370.06
IUPAC Namecyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
SMILESP[c-]1ccc(-c2ccccc2)c1-c1ccccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C17H14P.C5H5.Fe/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14;1-2-4-5-3-1;/h1-12H,18H2;1-5H;/q2*-1;+2
InChIKeyDEBPNOWFJLEATB-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.21
LogP ≤ 55.64
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+) (CID 140891390) is cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+) is P[c-]1ccc(-c2ccccc2)c1-c1ccccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The InChIKey is DEBPNOWFJLEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.C5H5.Fe/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14;1-2-4-5-3-1;/h1-12H,18H2;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+) has a molecular weight of 370.21 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+) is sourced from PubChem (CID 140891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).