1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane

C22H22FeP2-6 — CID 174758255

IUPAC1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane
SMILESPc1ccc[c-]1P.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H7P2.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-10H;1-3H,6-7H2;1-5H;/q;-1;-5;
InChIKeyPMUOLRKAIFZDQD-UHFFFAOYSA-N
MW404.21 g/mol
LogP5.16
Rot. Bonds1

About 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane

1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane (PubChem CID 174758255) has the molecular formula C22H22FeP2-6 and a molecular weight of 404.21 g/mol. Its IUPAC name is 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane.

Molecular Properties

Compound Name1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane
PubChem CID174758255
Molecular FormulaC22H22FeP2-6
Molecular Weight404.21 g/mol
Exact Mass404.06
IUPAC Name1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane
SMILESPc1ccc[c-]1P.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H7P2.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-10H;1-3H,6-7H2;1-5H;/q;-1;-5;
InChIKeyPMUOLRKAIFZDQD-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.21
LogP ≤ 55.16
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 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane?
The IUPAC name of 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane (CID 174758255) is 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane.
What is the SMILES notation for 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane?
The canonical SMILES for 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane is Pc1ccc[c-]1P.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane?
The InChIKey is PMUOLRKAIFZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C5H7P2.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-10H;1-3H,6-7H2;1-5H;/q;-1;-5;.
What are the key properties of 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane?
1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane has a molecular weight of 404.21 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane is sourced from PubChem (CID 174758255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).