diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride

C48H42ClNP2Ru — CID 54759317

IUPACdiethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
SMILESCC[N-]CC.[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C4H10N.ClH.Ru/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;1-3-5-4-2;;/h1-32H;3-4H2,1-2H3;1H;/q;-1;;+2/p-1
InChIKeySUXHJZHRSPIHTN-UHFFFAOYSA-M
MW831.34 g/mol
LogP7.58
Rot. Bonds9

About diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride

diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride (PubChem CID 54759317) has the molecular formula C48H42ClNP2Ru and a molecular weight of 831.34 g/mol. Its IUPAC name is diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride.

Molecular Properties

Compound Namediethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
PubChem CID54759317
Molecular FormulaC48H42ClNP2Ru
Molecular Weight831.34 g/mol
Exact Mass831.15
IUPAC Namediethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
SMILESCC[N-]CC.[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C4H10N.ClH.Ru/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;1-3-5-4-2;;/h1-32H;3-4H2,1-2H3;1H;/q;-1;;+2/p-1
InChIKeySUXHJZHRSPIHTN-UHFFFAOYSA-M
XLogP7.58
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.34
LogP ≤ 57.58
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

Binap, (A+-)-
CID 634876
(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl
CID 4189905
(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl
CID 4189906
[1-(2-Diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 4366894
((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride
CID 10919878
(S)-(-)-binap-chloro-(benzol)ruthenium-chloride
CID 11072956
(R)-[2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl dichlororuthenium
CID 11136527
[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthalen]chloro(p-cymene)rutheniumchloride
CID 11147374
[(R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl]palladium(II) chloride
CID 11814861
(R)-2,2'-Bis(bis(3,5-dimethylphenyl)phosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene
CID 11982207
Chloro((S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)(p-cymene)ruthenium(II) chloride (RuCl(p-cymene)((S)-tolbinap))Cl
CID 72376323
chloro[(S)-2,2'-bis(bis(3,5-dimethylphenyl)phosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride
CID 72376324

Frequently Asked Questions

What is the IUPAC name of diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride?
The IUPAC name of diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride (CID 54759317) is diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride.
What is the SMILES notation for diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride?
The canonical SMILES for diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride is CC[N-]CC.[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride?
The InChIKey is SUXHJZHRSPIHTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H32P2.C4H10N.ClH.Ru/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;1-3-5-4-2;;/h1-32H;3-4H2,1-2H3;1H;/q;-1;;+2/p-1.
What are the key properties of diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride?
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride has a molecular weight of 831.34 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride is sourced from PubChem (CID 54759317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).