tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium

C36H27Cl3N3O3Ru — CID 4004269

IUPACtris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
SMILESCl[Ru](Cl)Cl.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/3C12H9NO.3ClH.Ru/c3*14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;;;;/h3*1-9H;3*1H;/q;;;;;;+3/p-3
InChIKeyUDRVDTOLXKEZIU-UHFFFAOYSA-K
MW757.06 g/mol
LogP9.00
Rot. Bonds6

About tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium

tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium (PubChem CID 4004269) has the molecular formula C36H27Cl3N3O3Ru and a molecular weight of 757.06 g/mol. Its IUPAC name is tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium.

Molecular Properties

Compound Nametris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
PubChem CID4004269
Molecular FormulaC36H27Cl3N3O3Ru
Molecular Weight757.06 g/mol
Exact Mass756.02
IUPAC Nametris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
SMILESCl[Ru](Cl)Cl.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/3C12H9NO.3ClH.Ru/c3*14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;;;;/h3*1-9H;3*1H;/q;;;;;;+3/p-3
InChIKeyUDRVDTOLXKEZIU-UHFFFAOYSA-K
XLogP9.00
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.06
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
CID 67912656
diphenylmethanone
CID 3102
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzamide;pyridine-4-carboxamide
CID 175267661
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
CID 162307766
diphenylmethanone;1-pyridin-4-ylpropan-2-one
CID 174822420
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium?
The IUPAC name of tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium (CID 4004269) is tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium.
What is the SMILES notation for tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium?
The canonical SMILES for tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium is Cl[Ru](Cl)Cl.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1.O=C(c1ccccc1)c1ccncc1.
What is the InChIKey of tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium?
The InChIKey is UDRVDTOLXKEZIU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H9NO.3ClH.Ru/c3*14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;;;;/h3*1-9H;3*1H;/q;;;;;;+3/p-3.
What are the key properties of tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium?
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium has a molecular weight of 757.06 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium is sourced from PubChem (CID 4004269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).