bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C26H50N2O4P6S6 — CID 159606237

IUPACbis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC=CC#N.C=CCCCCCCCC(=O)OC.COC(=O)CCCCCCCC=CC#N.PP(P)P(P)P.S=S=S=S=S=S
InChIInChI=1S/C12H19NO2.C11H20O2.C3H3N.H8P6.S6/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;1-3-4-5-6-7-8-9-10-11(12)13-2;1-2-3-4;1-5(2)6(3)4;1-3-5-6-4-2/h7,9H,2-6,8,10H2,1H3;3H,1,4-10H2,2H3;2H,1H2;1-4H2;
InChIKeyMMCPKIFOAZJSQC-UHFFFAOYSA-N
MW832.94 g/mol
LogP9.75
Rot. Bonds17

About bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 159606237) has the molecular formula C26H50N2O4P6S6 and a molecular weight of 832.94 g/mol. Its IUPAC name is bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namebis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID159606237
Molecular FormulaC26H50N2O4P6S6
Molecular Weight832.94 g/mol
Exact Mass832.05
IUPAC Namebis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC=CC#N.C=CCCCCCCCC(=O)OC.COC(=O)CCCCCCCC=CC#N.PP(P)P(P)P.S=S=S=S=S=S
InChIInChI=1S/C12H19NO2.C11H20O2.C3H3N.H8P6.S6/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;1-3-4-5-6-7-8-9-10-11(12)13-2;1-2-3-4;1-5(2)6(3)4;1-3-5-6-4-2/h7,9H,2-6,8,10H2,1H3;3H,1,4-10H2,2H3;2H,1H2;1-4H2;
InChIKeyMMCPKIFOAZJSQC-UHFFFAOYSA-N
XLogP9.75
TPSA100.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.94
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Related Compounds

methyl 10-cyanodec-9-enoate
CID 73094603
methyl (E)-11-cyanoundec-10-enoate
CID 12772008
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
methyl (5E)-undeca-5,10-dienoate
CID 102118350
dimethyl (E)-triacont-15-enedioate
CID 10767955
azane;2-methoxyethyl undec-10-enoate
CID 174560084
dimethyl undec-2-enedioate
CID 71341268
hex-5-enenitrile;methyl hex-5-enoate
CID 88843727
methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
CID 162875095
10-methoxy-10-oxodec-2-enoic acid
CID 163011459
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
methyl (E)-11-iodoundec-10-enoate
CID 12653836

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 159606237) is bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C=CC#N.C=CCCCCCCCC(=O)OC.COC(=O)CCCCCCCC=CC#N.PP(P)P(P)P.S=S=S=S=S=S.
What is the InChIKey of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is MMCPKIFOAZJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C11H20O2.C3H3N.H8P6.S6/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13;1-3-4-5-6-7-8-9-10-11(12)13-2;1-2-3-4;1-5(2)6(3)4;1-3-5-6-4-2/h7,9H,2-6,8,10H2,1H3;3H,1,4-10H2,2H3;2H,1H2;1-4H2;.
What are the key properties of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 832.94 g/mol, XLogP of 9.75, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;methyl 10-cyanodec-9-enoate;methyl dec-9-enoate;prop-2-enenitrile;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 159606237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).