1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron

C22H21FeO3P-6 — CID 174416169

IUPAC1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
SMILESO=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H6O3P.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-10H;1-4H,(H2,6,7,8);1-5H;/q;-1;-5;
InChIKeyWVOMYBCPKNQOGA-UHFFFAOYSA-N
MW420.23 g/mol
LogP4.97
Rot. Bonds2

About 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron

1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron (PubChem CID 174416169) has the molecular formula C22H21FeO3P-6 and a molecular weight of 420.23 g/mol. Its IUPAC name is 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron.

Molecular Properties

Compound Name1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
PubChem CID174416169
Molecular FormulaC22H21FeO3P-6
Molecular Weight420.23 g/mol
Exact Mass420.06
IUPAC Name1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
SMILESO=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H6O3P.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-10H;1-4H,(H2,6,7,8);1-5H;/q;-1;-5;
InChIKeyWVOMYBCPKNQOGA-UHFFFAOYSA-N
XLogP4.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

(C-benzyl-N-cyclopenta-2,4-dien-1-ylcarbonimidoyl)phosphonic acid;cyclopentane;iron
CID 87784388
chloro-(4-phenylphenyl)phosphinic acid
CID 121303407
1,1'-biphenyl;phosphoric acid;piperazine
CID 67592492
1,1'-biphenyl;cyclopentane;iron;(2-phosphanylcyclopenta-2,4-dien-1-yl)phosphane
CID 174758255
1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 158293488
CID 158293488
cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium
CID 173359125
[2-(4-phenylphenyl)phenyl]phosphonic acid
CID 175600433
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
bis(1,1'-biphenyl);sulfane
CID 22247507
1,1'-biphenyl;hydroiodide
CID 66586334

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The IUPAC name of 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron (CID 174416169) is 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron.
What is the SMILES notation for 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The canonical SMILES for 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron is O=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The InChIKey is WVOMYBCPKNQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C5H6O3P.C5H5.Fe/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-10H;1-4H,(H2,6,7,8);1-5H;/q;-1;-5;.
What are the key properties of 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron has a molecular weight of 420.23 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron is sourced from PubChem (CID 174416169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).