[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)

C44H34P2Pd+4 — CID 134943742

IUPAC[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)
SMILES[Pd+2].c1ccc([PH+](c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;/h1-32H;/q;+2/p+2
InChIKeyLOHPAPNCYZJBKJ-UHFFFAOYSA-P
MW731.12 g/mol
LogP8.64
Rot. Bonds7

About [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)

[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+) (PubChem CID 134943742) has the molecular formula C44H34P2Pd+4 and a molecular weight of 731.12 g/mol. Its IUPAC name is [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+).

Molecular Properties

Compound Name[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)
PubChem CID134943742
Molecular FormulaC44H34P2Pd+4
Molecular Weight731.12 g/mol
Exact Mass730.11
IUPAC Name[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)
SMILES[Pd+2].c1ccc([PH+](c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;/h1-32H;/q;+2/p+2
InChIKeyLOHPAPNCYZJBKJ-UHFFFAOYSA-P
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.12
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(acetonitrile);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+);bis(trifluoromethanesulfonic acid)
CID 158996959
[1-(2-azanidylnaphthalen-1-yl)naphthalen-2-yl]azanide;[2-(2-diphenylphosphaniumylphenyl)phenyl]-diphenylphosphanium;palladium(2+)
CID 146164742
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphaniumylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphanium;ruthenium
CID 164887013
[1-[2-bis(4-methylphenyl)phosphaniumylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphanium;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene;chloride
CID 137319832
dichlororuthenium(2+);[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;piperidin-1-ide;2H-pyridin-1-ide
CID 6394026
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
CID 162499402
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
disilver;(2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium;bis(3-ethynylphenanthrene)
CID 162499781
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)?
The IUPAC name of [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+) (CID 134943742) is [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+).
What is the SMILES notation for [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)?
The canonical SMILES for [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+) is [Pd+2].c1ccc([PH+](c2ccccc2)c2ccc3ccccc3c2-c2c([PH+](c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)?
The InChIKey is LOHPAPNCYZJBKJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C44H32P2.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;/h1-32H;/q;+2/p+2.
What are the key properties of [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+)?
[1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+) has a molecular weight of 731.12 g/mol, XLogP of 8.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;palladium(2+) is sourced from PubChem (CID 134943742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).