bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide

C28H71Cl32I4P22- — CID 162081677

IUPACbis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide
SMILESC.CCl.CCl.CCl.CCl.CP(C)CP(CP(C)C)CP(CP(C)C)CP(C)C.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.I.I[I-]I
InChIInChI=1S/C13H34P6.2C5H10Cl8P6.4CH3Cl.CH4.4Cl3P.I3.HI/c1-14(2)9-18(10-15(3)4)13-19(11-16(5)6)12-17(7)8;2*6-16(7)2-14(3-17(8)9)1-15(4-18(10)11)5-19(12)13;4*1-2;;4*1-4(2)3;1-3-2;/h9-13H2,1-8H3;2*1-5H2;4*1H3;1H4;;;;;;1H/q;;;;;;;;;;;;-1;
InChIKeyNIELFUOVLJGHAX-UHFFFAOYSA-N
MW2731.42 g/mol
LogP43.66
Rot. Bonds30

About bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide

bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide (PubChem CID 162081677) has the molecular formula C28H71Cl32I4P22- and a molecular weight of 2731.42 g/mol. Its IUPAC name is bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide.

Molecular Properties

Compound Namebis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide
PubChem CID162081677
Molecular FormulaC28H71Cl32I4P22-
Molecular Weight2731.42 g/mol
Exact Mass2715.60
IUPAC Namebis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide
SMILESC.CCl.CCl.CCl.CCl.CP(C)CP(CP(C)C)CP(CP(C)C)CP(C)C.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.I.I[I-]I
InChIInChI=1S/C13H34P6.2C5H10Cl8P6.4CH3Cl.CH4.4Cl3P.I3.HI/c1-14(2)9-18(10-15(3)4)13-19(11-16(5)6)12-17(7)8;2*6-16(7)2-14(3-17(8)9)1-15(4-18(10)11)5-19(12)13;4*1-2;;4*1-4(2)3;1-3-2;/h9-13H2,1-8H3;2*1-5H2;4*1H3;1H4;;;;;;1H/q;;;;;;;;;;;;-1;
InChIKeyNIELFUOVLJGHAX-UHFFFAOYSA-N
XLogP43.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002731.42
LogP ≤ 543.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide?
The IUPAC name of bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide (CID 162081677) is bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide.
What is the SMILES notation for bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide?
The canonical SMILES for bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide is C.CCl.CCl.CCl.CCl.CP(C)CP(CP(C)C)CP(CP(C)C)CP(C)C.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)CP(CP(Cl)Cl)CP(CP(Cl)Cl)CP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.ClP(Cl)Cl.I.I[I-]I.
What is the InChIKey of bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide?
The InChIKey is NIELFUOVLJGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34P6.2C5H10Cl8P6.4CH3Cl.CH4.4Cl3P.I3.HI/c1-14(2)9-18(10-15(3)4)13-19(11-16(5)6)12-17(7)8;2*6-16(7)2-14(3-17(8)9)1-15(4-18(10)11)5-19(12)13;4*1-2;;4*1-4(2)3;1-3-2;/h9-13H2,1-8H3;2*1-5H2;4*1H3;1H4;;;;;;1H/q;;;;;;;;;;;;-1;.
What are the key properties of bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide?
bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide has a molecular weight of 2731.42 g/mol, XLogP of 43.66, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(dichlorophosphanylmethyl)phosphanylmethyl-bis(dichlorophosphanylmethyl)phosphane);bis(dimethylphosphanylmethyl)phosphanylmethyl-bis(dimethylphosphanylmethyl)phosphane;chloromethane;methane;tetrakis(trichlorophosphane);triiodide;hydroiodide is sourced from PubChem (CID 162081677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).