carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium

C26H43ClOPRu — CID 159473860

IUPACcarbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Oc1ccccc1/C=[Ru]\Cl.[CH3-]
InChIInChI=1S/C18H33P.C7H6O.CH3.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7(6)8;;;/h16-18H,1-15H2;1-5,8H;1H3;1H;/q;;-1;;+1
InChIKeyOGFHRAZGJQVPLD-UHFFFAOYSA-N
MW539.13 g/mol
LogP8.43
Rot. Bonds4

About carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium

carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium (PubChem CID 159473860) has the molecular formula C26H43ClOPRu and a molecular weight of 539.13 g/mol. Its IUPAC name is carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namecarbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
PubChem CID159473860
Molecular FormulaC26H43ClOPRu
Molecular Weight539.13 g/mol
Exact Mass539.18
IUPAC Namecarbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Oc1ccccc1/C=[Ru]\Cl.[CH3-]
InChIInChI=1S/C18H33P.C7H6O.CH3.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7(6)8;;;/h16-18H,1-15H2;1-5,8H;1H3;1H;/q;;-1;;+1
InChIKeyOGFHRAZGJQVPLD-UHFFFAOYSA-N
XLogP8.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.13
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium?
The IUPAC name of carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium (CID 159473860) is carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium?
The canonical SMILES for carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Oc1ccccc1/C=[Ru]\Cl.[CH3-].
What is the InChIKey of carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium?
The InChIKey is OGFHRAZGJQVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C7H6O.CH3.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7(6)8;;;/h16-18H,1-15H2;1-5,8H;1H3;1H;/q;;-1;;+1.
What are the key properties of carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium?
carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium has a molecular weight of 539.13 g/mol, XLogP of 8.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 159473860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).