bis(2-diphenylphosphanylacetic acid);nickel

C28H26NiO4P2 — CID 156635270

IUPACbis(2-diphenylphosphanylacetic acid);nickel
SMILESO=C(O)CP(c1ccccc1)c1ccccc1.O=C(O)CP(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/2C14H13O2P.Ni/c2*15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h2*1-10H,11H2,(H,15,16);
InChIKeyJAQVFXXESCJPHV-UHFFFAOYSA-N
MW547.15 g/mol
LogP4.41
Rot. Bonds8

About bis(2-diphenylphosphanylacetic acid);nickel

bis(2-diphenylphosphanylacetic acid);nickel (PubChem CID 156635270) has the molecular formula C28H26NiO4P2 and a molecular weight of 547.15 g/mol. Its IUPAC name is bis(2-diphenylphosphanylacetic acid);nickel.

Molecular Properties

Compound Namebis(2-diphenylphosphanylacetic acid);nickel
PubChem CID156635270
Molecular FormulaC28H26NiO4P2
Molecular Weight547.15 g/mol
Exact Mass546.07
IUPAC Namebis(2-diphenylphosphanylacetic acid);nickel
SMILESO=C(O)CP(c1ccccc1)c1ccccc1.O=C(O)CP(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/2C14H13O2P.Ni/c2*15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h2*1-10H,11H2,(H,15,16);
InChIKeyJAQVFXXESCJPHV-UHFFFAOYSA-N
XLogP4.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.15
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(phenyl)phosphanyl]acetic acid
CID 14029592
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
1-cyclopropyl-2-diphenylphosphanylethanone
CID 131980538
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
2-chloroacetic acid;triphenylphosphane
CID 158594327
S-(diphenylphosphanylmethyl) iodomethanethioate
CID 126656628
2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
propan-2-one;triphenylphosphane;hydrate
CID 118484852

Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylacetic acid);nickel?
The IUPAC name of bis(2-diphenylphosphanylacetic acid);nickel (CID 156635270) is bis(2-diphenylphosphanylacetic acid);nickel.
What is the SMILES notation for bis(2-diphenylphosphanylacetic acid);nickel?
The canonical SMILES for bis(2-diphenylphosphanylacetic acid);nickel is O=C(O)CP(c1ccccc1)c1ccccc1.O=C(O)CP(c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of bis(2-diphenylphosphanylacetic acid);nickel?
The InChIKey is JAQVFXXESCJPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13O2P.Ni/c2*15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h2*1-10H,11H2,(H,15,16);.
What are the key properties of bis(2-diphenylphosphanylacetic acid);nickel?
bis(2-diphenylphosphanylacetic acid);nickel has a molecular weight of 547.15 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylacetic acid);nickel is sourced from PubChem (CID 156635270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).