chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane

C50H43ClP3Ru — CID 11480006

IUPACchlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
SMILESCl[Ru].c1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.C18H15P.ClH.Ru/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-24H,25-26H2;1-15H;1H;/q;;;+1/p-1
InChIKeyHJZMLWMQVWTFHA-UHFFFAOYSA-M
MW873.34 g/mol
LogP11.08
Rot. Bonds11

About chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane

chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane (PubChem CID 11480006) has the molecular formula C50H43ClP3Ru and a molecular weight of 873.34 g/mol. Its IUPAC name is chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane.

Molecular Properties

Compound Namechlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
PubChem CID11480006
Molecular FormulaC50H43ClP3Ru
Molecular Weight873.34 g/mol
Exact Mass873.13
IUPAC Namechlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
SMILESCl[Ru].c1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.C18H15P.ClH.Ru/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-24H,25-26H2;1-15H;1H;/q;;;+1/p-1
InChIKeyHJZMLWMQVWTFHA-UHFFFAOYSA-M
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.34
LogP ≤ 511.08
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

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rhodium(3+);nonakis(triphenylphosphane);trichloride
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triphenylphosphane
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phenylmethanol;triphenylphosphane
CID 172697327
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CID 11981349

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane?
The IUPAC name of chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane (CID 11480006) is chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane.
What is the SMILES notation for chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane?
The canonical SMILES for chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane is Cl[Ru].c1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane?
The InChIKey is HJZMLWMQVWTFHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28P2.C18H15P.ClH.Ru/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-24H,25-26H2;1-15H;1H;/q;;;+1/p-1.
What are the key properties of chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane?
chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane has a molecular weight of 873.34 g/mol, XLogP of 11.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane is sourced from PubChem (CID 11480006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).