cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron

C42H46FeP2 — CID 167994721

IUPACcyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron
SMILESC1CCCC1.CC(C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C37H36P2.C5H10.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-15,17-25,28-29,34-35H,16,26-27H2,1H3;1-5H2;
InChIKeyUWTALJOPQXTMKF-UHFFFAOYSA-N
MW668.62 g/mol
LogP9.80
Rot. Bonds8

About cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron

cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron (PubChem CID 167994721) has the molecular formula C42H46FeP2 and a molecular weight of 668.62 g/mol. Its IUPAC name is cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron.

Molecular Properties

Compound Namecyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron
PubChem CID167994721
Molecular FormulaC42H46FeP2
Molecular Weight668.62 g/mol
Exact Mass668.24
IUPAC Namecyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron
SMILESC1CCCC1.CC(C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Fe]
InChIInChI=1S/C37H36P2.C5H10.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-15,17-25,28-29,34-35H,16,26-27H2,1H3;1-5H2;
InChIKeyUWTALJOPQXTMKF-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.62
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron?
The IUPAC name of cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron (CID 167994721) is cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron.
What is the SMILES notation for cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron?
The canonical SMILES for cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron is C1CCCC1.CC(C1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Fe].
What is the InChIKey of cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron?
The InChIKey is UWTALJOPQXTMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36P2.C5H10.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-15,17-25,28-29,34-35H,16,26-27H2,1H3;1-5H2;.
What are the key properties of cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron?
cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron has a molecular weight of 668.62 g/mol, XLogP of 9.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-diphenylphosphane;iron is sourced from PubChem (CID 167994721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).