bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)

C217H282Cl12FeO2P12Pd6+10 — CID 162269062

IUPACbis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)
SMILESC.C.C.C.C.C.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.Cc1cccc2c1Oc1c([PH+](c3ccccc3)c3ccccc3)cccc1C2(C)C.Cc1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.[Fe].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25OP.C25H21OP.2C18H33P.2C18H15P.2C17H19P.2C14H23P.2C12H11P.6CH4.12ClH.Fe.6Pd/c1-20-12-10-17-23-26(20)29-27-24(28(23,2)3)18-11-19-25(27)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22;1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;;;;;;;;;;;;;;;;;;;;;/h4-19H,1-3H3;2-19H,1H3;2*16-18H,1-15H2;2*1-15H;2*1-6,9-12,17H,7-8,13-14H2;2*7-11H,1-6H3;2*1-10,13H;6*1H4;12*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-2
InChIKeyLRVSJCWGIUCSBK-UHFFFAOYSA-L
MW4414.13 g/mol
LogP62.49
Rot. Bonds32

About bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)

bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) (PubChem CID 162269062) has the molecular formula C217H282Cl12FeO2P12Pd6+10 and a molecular weight of 4414.13 g/mol. Its IUPAC name is bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium).

Molecular Properties

Compound Namebis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)
PubChem CID162269062
Molecular FormulaC217H282Cl12FeO2P12Pd6+10
Molecular Weight4414.13 g/mol
Exact Mass4402.86
IUPAC Namebis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)
SMILESC.C.C.C.C.C.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.Cc1cccc2c1Oc1c([PH+](c3ccccc3)c3ccccc3)cccc1C2(C)C.Cc1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.[Fe].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25OP.C25H21OP.2C18H33P.2C18H15P.2C17H19P.2C14H23P.2C12H11P.6CH4.12ClH.Fe.6Pd/c1-20-12-10-17-23-26(20)29-27-24(28(23,2)3)18-11-19-25(27)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22;1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;;;;;;;;;;;;;;;;;;;;;/h4-19H,1-3H3;2-19H,1H3;2*16-18H,1-15H2;2*1-15H;2*1-6,9-12,17H,7-8,13-14H2;2*7-11H,1-6H3;2*1-10,13H;6*1H4;12*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-2
InChIKeyLRVSJCWGIUCSBK-UHFFFAOYSA-L
XLogP62.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004414.13
LogP ≤ 562.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)?
The IUPAC name of bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) (CID 162269062) is bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium).
What is the SMILES notation for bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)?
The canonical SMILES for bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) is C.C.C.C.C.C.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.Cc1cccc2c1Oc1c([PH+](c3ccccc3)c3ccccc3)cccc1C2(C)C.Cc1ccccc1Oc1ccccc1[PH+](c1ccccc1)c1ccccc1.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.[Fe].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)?
The InChIKey is LRVSJCWGIUCSBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H25OP.C25H21OP.2C18H33P.2C18H15P.2C17H19P.2C14H23P.2C12H11P.6CH4.12ClH.Fe.6Pd/c1-20-12-10-17-23-26(20)29-27-24(28(23,2)3)18-11-19-25(27)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22;1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)27(21-13-4-2-5-14-21)22-15-6-3-7-16-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;;;;;;;;;;;;;;;;;;;;;;/h4-19H,1-3H3;2-19H,1H3;2*16-18H,1-15H2;2*1-15H;2*1-6,9-12,17H,7-8,13-14H2;2*7-11H,1-6H3;2*1-10,13H;6*1H4;12*1H;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-2.
What are the key properties of bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)?
bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) has a molecular weight of 4414.13 g/mol, XLogP of 62.49, 32 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium) is sourced from PubChem (CID 162269062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).