bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate

C48H121N4O8P51Si — CID 158909600

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate
SMILESCCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.COC(=O)CC(=O)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H28O4Si.2C15H18N2O2.H20P18.H19P17.H18P16/c1-18(2,3)23(5,6)22-13-15-9-7-14(8-10-15)11-16(19)12-17(20)21-4;1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6/h7-10H,11-13H2,1-6H3;2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2;1-9H2
InChIKeyJGLZQZHYNNXMDR-UHFFFAOYSA-N
MW2490.28 g/mol
LogP38.27
Rot. Bonds35

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate (PubChem CID 158909600) has the molecular formula C48H121N4O8P51Si and a molecular weight of 2490.28 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate
PubChem CID158909600
Molecular FormulaC48H121N4O8P51Si
Molecular Weight2490.28 g/mol
Exact Mass2489.56
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate
SMILESCCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.COC(=O)CC(=O)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H28O4Si.2C15H18N2O2.H20P18.H19P17.H18P16/c1-18(2,3)23(5,6)22-13-15-9-7-14(8-10-15)11-16(19)12-17(20)21-4;1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6/h7-10H,11-13H2,1-6H3;2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2;1-9H2
InChIKeyJGLZQZHYNNXMDR-UHFFFAOYSA-N
XLogP38.27
TPSA140.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002490.28
LogP ≤ 538.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate (CID 158909600) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate is CCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.COC(=O)CC(=O)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate?
The InChIKey is JGLZQZHYNNXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4Si.2C15H18N2O2.H20P18.H19P17.H18P16/c1-18(2,3)23(5,6)22-13-15-9-7-14(8-10-15)11-16(19)12-17(20)21-4;1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6/h7-10H,11-13H2,1-6H3;2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2;1-9H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate has a molecular weight of 2490.28 g/mol, XLogP of 38.27, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone;methyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-oxobutanoate is sourced from PubChem (CID 158909600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).