cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron

C34H28FeP2-6 — CID 11984962

IUPACcyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron
SMILES[Fe].c1ccc(P(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q-5;-1;
InChIKeyMJQCCMQVORRQLH-UHFFFAOYSA-N
MW554.39 g/mol
LogP6.32
Rot. Bonds6

About cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron (PubChem CID 11984962) has the molecular formula C34H28FeP2-6 and a molecular weight of 554.39 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron
PubChem CID11984962
Molecular FormulaC34H28FeP2-6
Molecular Weight554.39 g/mol
Exact Mass554.10
IUPAC Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron
SMILES[Fe].c1ccc(P(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q-5;-1;
InChIKeyMJQCCMQVORRQLH-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.39
LogP ≤ 56.32
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-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron (CID 11984962) is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron is [Fe].c1ccc(P(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron?
The InChIKey is MJQCCMQVORRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q-5;-1;.
What are the key properties of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron?
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron has a molecular weight of 554.39 g/mol, XLogP of 6.32, 6 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;cyclopentyl(diphenyl)phosphane;iron is sourced from PubChem (CID 11984962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).