dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)

C38H34Cl2FeP2 — CID 164702802

IUPACdibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
SMILESClc1cc[c-](P(Cc2ccccc2)Cc2ccccc2)c1Cl.[Fe+2].c1ccc(CP(Cc2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C19H16Cl2P.C19H18P.Fe/c20-17-11-12-18(19(17)21)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;1-3-9-17(10-4-1)15-20(19-13-7-8-14-19)16-18-11-5-2-6-12-18;/h1-12H,13-14H2;1-14H,15-16H2;/q2*-1;+2
InChIKeyDXMVLPFBWOWZJE-UHFFFAOYSA-N
MW679.39 g/mol
LogP11.13
Rot. Bonds10

About dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)

dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+) (PubChem CID 164702802) has the molecular formula C38H34Cl2FeP2 and a molecular weight of 679.39 g/mol. Its IUPAC name is dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+).

Molecular Properties

Compound Namedibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
PubChem CID164702802
Molecular FormulaC38H34Cl2FeP2
Molecular Weight679.39 g/mol
Exact Mass678.09
IUPAC Namedibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
SMILESClc1cc[c-](P(Cc2ccccc2)Cc2ccccc2)c1Cl.[Fe+2].c1ccc(CP(Cc2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C19H16Cl2P.C19H18P.Fe/c20-17-11-12-18(19(17)21)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;1-3-9-17(10-4-1)15-20(19-13-7-8-14-19)16-18-11-5-2-6-12-18;/h1-12H,13-14H2;1-14H,15-16H2;/q2*-1;+2
InChIKeyDXMVLPFBWOWZJE-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.39
LogP ≤ 511.13
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 dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The IUPAC name of dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+) (CID 164702802) is dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+).
What is the SMILES notation for dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The canonical SMILES for dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+) is Clc1cc[c-](P(Cc2ccccc2)Cc2ccccc2)c1Cl.[Fe+2].c1ccc(CP(Cc2ccccc2)[c-]2cccc2)cc1.
What is the InChIKey of dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
The InChIKey is DXMVLPFBWOWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2P.C19H18P.Fe/c20-17-11-12-18(19(17)21)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;1-3-9-17(10-4-1)15-20(19-13-7-8-14-19)16-18-11-5-2-6-12-18;/h1-12H,13-14H2;1-14H,15-16H2;/q2*-1;+2.
What are the key properties of dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)?
dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+) has a molecular weight of 679.39 g/mol, XLogP of 11.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+) is sourced from PubChem (CID 164702802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).