cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)

C36H30FeP2 — CID 153291057

IUPACcyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)
SMILESC=C[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C19H16P.C17H14P.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2-15H,1H2;1-14H;/q2*-1;+2
InChIKeyICGFUOLPRKJZGX-UHFFFAOYSA-N
MW580.43 g/mol
LogP6.97
Rot. Bonds7

About cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+) (PubChem CID 153291057) has the molecular formula C36H30FeP2 and a molecular weight of 580.43 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)
PubChem CID153291057
Molecular FormulaC36H30FeP2
Molecular Weight580.43 g/mol
Exact Mass580.12
IUPAC Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)
SMILESC=C[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C19H16P.C17H14P.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2-15H,1H2;1-14H;/q2*-1;+2
InChIKeyICGFUOLPRKJZGX-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.43
LogP ≤ 56.97
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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Related Compounds

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
CID 174391548
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
CID 173329991
CID 158145102
CID 158145102
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;dichloronickel;iron
CID 87962798
triphenylphosphane
CID 139056248
cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
CID 88769962
cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
CID 87353736
ethene;platinum;triphenylphosphane
CID 11071312
bis(cyclopenta-1,3-diene);cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron;palladium(2+);dihydrochloride
CID 173494216
CID 134899849
CID 134899849
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+) (CID 153291057) is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+) is C=C[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)?
The InChIKey is ICGFUOLPRKJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16P.C17H14P.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2-15H,1H2;1-14H;/q2*-1;+2.
What are the key properties of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)?
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+) has a molecular weight of 580.43 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+) is sourced from PubChem (CID 153291057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).