disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium

C18H22Na2O3P2 — CID 101086427

IUPACdisodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
SMILES[Na+].[Na+].[O-][P+]([O-])([O-])CCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O3P2.2Na/c19-23(20,21)16-10-2-1-9-15-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H2,19,20,21);;/q;2*+1/p-2
InChIKeyBDJUJZMWSFCULY-UHFFFAOYSA-L
MW394.30 g/mol
LogP-4.47
Rot. Bonds9

About disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium

disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium (PubChem CID 101086427) has the molecular formula C18H22Na2O3P2 and a molecular weight of 394.30 g/mol. Its IUPAC name is disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium.

Molecular Properties

Compound Namedisodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
PubChem CID101086427
Molecular FormulaC18H22Na2O3P2
Molecular Weight394.30 g/mol
Exact Mass394.08
IUPAC Namedisodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
SMILES[Na+].[Na+].[O-][P+]([O-])([O-])CCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O3P2.2Na/c19-23(20,21)16-10-2-1-9-15-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H2,19,20,21);;/q;2*+1/p-2
InChIKeyBDJUJZMWSFCULY-UHFFFAOYSA-L
XLogP-4.47
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
CID 88731911
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
4-diphenylphosphanylbutyl-methyl-diphenylphosphanium;methanesulfonate
CID 88698780
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(10-diphenylphosphanyldecoxy)-phenylphosphane
CID 12054176
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421

Frequently Asked Questions

What is the IUPAC name of disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium?
The IUPAC name of disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium (CID 101086427) is disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium.
What is the SMILES notation for disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium?
The canonical SMILES for disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium is [Na+].[Na+].[O-][P+]([O-])([O-])CCCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium?
The InChIKey is BDJUJZMWSFCULY-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H24O3P2.2Na/c19-23(20,21)16-10-2-1-9-15-22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H2,19,20,21);;/q;2*+1/p-2.
What are the key properties of disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium?
disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium has a molecular weight of 394.30 g/mol, XLogP of -4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium is sourced from PubChem (CID 101086427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).