dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)

C51H40Cl2P2Ru — CID 11193829

IUPACdichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)
SMILESCl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyOSXYZGLDXSALQC-UHFFFAOYSA-L
MW886.81 g/mol
LogP11.47
Rot. Bonds7

About dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)

dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane) (PubChem CID 11193829) has the molecular formula C51H40Cl2P2Ru and a molecular weight of 886.81 g/mol. Its IUPAC name is dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane).

Molecular Properties

Compound Namedichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)
PubChem CID11193829
Molecular FormulaC51H40Cl2P2Ru
Molecular Weight886.81 g/mol
Exact Mass886.10
IUPAC Namedichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)
SMILESCl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyOSXYZGLDXSALQC-UHFFFAOYSA-L
XLogP11.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.81
LogP ≤ 511.47
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

(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420
Tri(naphthalen-1-yl)phosphane
CID 271443
Binap, (A+-)-
CID 634876
Phosphonium, ((2-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 113182
Phosphine, 1,1'-[[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[1,1-diphenyl-
CID 10985391
2,2'-Bis(diphenylphosphino)-1,1'-biphenyl
CID 2734940
1,8-(Diphenylphosphino)naphthalene
CID 2756729
(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
1,2-Bis(diphenylphosphinomethyl)benzene
CID 4642097

Frequently Asked Questions

What is the IUPAC name of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)?
The IUPAC name of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane) (CID 11193829) is dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane).
What is the SMILES notation for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)?
The canonical SMILES for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane) is Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)?
The InChIKey is OSXYZGLDXSALQC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane)?
dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane) has a molecular weight of 886.81 g/mol, XLogP of 11.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(triphenylphosphane) is sourced from PubChem (CID 11193829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).