carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium

C20H25NOP2RuY+2 — CID 91865253

IUPACcarbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium
SMILESC[PH+](C)Cc1cccc2cc3cccc(C[PH+](C)C)c3nc12.[C-]#[O+].[Ru].[Y]
InChIInChI=1S/C19H23NP2.CO.Ru.Y/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-2;;/h5-11H,12-13H2,1-4H3;;;/p+2
InChIKeyBYDPZZQEJNSRLP-UHFFFAOYSA-P
MW547.35 g/mol
LogP5.29
Rot. Bonds4

About carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium

carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium (PubChem CID 91865253) has the molecular formula C20H25NOP2RuY+2 and a molecular weight of 547.35 g/mol. Its IUPAC name is carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium.

Molecular Properties

Compound Namecarbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium
PubChem CID91865253
Molecular FormulaC20H25NOP2RuY+2
Molecular Weight547.35 g/mol
Exact Mass547.95
IUPAC Namecarbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium
SMILESC[PH+](C)Cc1cccc2cc3cccc(C[PH+](C)C)c3nc12.[C-]#[O+].[Ru].[Y]
InChIInChI=1S/C19H23NP2.CO.Ru.Y/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-2;;/h5-11H,12-13H2,1-4H3;;;/p+2
InChIKeyBYDPZZQEJNSRLP-UHFFFAOYSA-P
XLogP5.29
TPSA32.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.35
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-propylacridine
CID 609894
N-ethyl-8-(2-methoxyethyl)-3-propylquinolin-2-amine
CID 102908280
4,5-bis(benzimidazol-1-ylmethyl)acridine
CID 102172067
3,8-diethylquinolin-2-amine
CID 17039687
4,5-bis(bromomethyl)acridine;(5-ethylacridin-4-yl)methyl-di(propan-2-yl)phosphane
CID 163675366
N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
CID 55175771
but-2-yne;chloro(hydrido)ruthenium;[5-[di(propan-2-yl)phosphaniumylmethyl]acridin-4-yl]methyl-di(propan-2-yl)phosphanium;methane;methanone;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne
CID 161226092
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457
N-methyl-3,8-dipropylquinolin-2-amine
CID 55223741
8-ethyl-3-methylquinolin-2-amine;hydrochloride
CID 43866070
N,3-diethyl-8-propoxyquinolin-2-amine
CID 63529540

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium?
The IUPAC name of carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium (CID 91865253) is carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium.
What is the SMILES notation for carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium?
The canonical SMILES for carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium is C[PH+](C)Cc1cccc2cc3cccc(C[PH+](C)C)c3nc12.[C-]#[O+].[Ru].[Y].
What is the InChIKey of carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium?
The InChIKey is BYDPZZQEJNSRLP-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23NP2.CO.Ru.Y/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-2;;/h5-11H,12-13H2,1-4H3;;;/p+2.
What are the key properties of carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium?
carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium has a molecular weight of 547.35 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[5-(dimethylphosphaniumylmethyl)acridin-4-yl]methyl-dimethylphosphanium;ruthenium monohydride;yttrium is sourced from PubChem (CID 91865253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).