cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron

C34H30Fe2O2-8 — CID 11987396

IUPACcyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron
SMILESOC(c1ccccc1)[c-]1cccc1.OC(c1ccccc1)[c-]1cccc1.[Fe].[Fe].c1cc[c-](-[c-]2[cH-][cH-][cH-][cH-]2)c1
InChIInChI=1S/2C12H11O.C10H8.2Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-6-9(5-1)10-7-3-4-8-10;;/h2*1-9,12-13H;1-8H;;/q2*-1;-6;;
InChIKeyXVFVKZFJZJZWIK-UHFFFAOYSA-N
MW582.30 g/mol
LogP7.76
Rot. Bonds5

About cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron

cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron (PubChem CID 11987396) has the molecular formula C34H30Fe2O2-8 and a molecular weight of 582.30 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron
PubChem CID11987396
Molecular FormulaC34H30Fe2O2-8
Molecular Weight582.30 g/mol
Exact Mass582.10
IUPAC Namecyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron
SMILESOC(c1ccccc1)[c-]1cccc1.OC(c1ccccc1)[c-]1cccc1.[Fe].[Fe].c1cc[c-](-[c-]2[cH-][cH-][cH-][cH-]2)c1
InChIInChI=1S/2C12H11O.C10H8.2Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-6-9(5-1)10-7-3-4-8-10;;/h2*1-9,12-13H;1-8H;;/q2*-1;-6;;
InChIKeyXVFVKZFJZJZWIK-UHFFFAOYSA-N
XLogP7.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.30
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium
CID 11986098
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron?
The IUPAC name of cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron (CID 11987396) is cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron?
The canonical SMILES for cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron is OC(c1ccccc1)[c-]1cccc1.OC(c1ccccc1)[c-]1cccc1.[Fe].[Fe].c1cc[c-](-[c-]2[cH-][cH-][cH-][cH-]2)c1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron?
The InChIKey is XVFVKZFJZJZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11O.C10H8.2Fe/c2*13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-6-9(5-1)10-7-3-4-8-10;;/h2*1-9,12-13H;1-8H;;/q2*-1;-6;;.
What are the key properties of cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron?
cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron has a molecular weight of 582.30 g/mol, XLogP of 7.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron is sourced from PubChem (CID 11987396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).