benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)

C35H36N4O2Y2-2 — CID 161126482

IUPACbenzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)
SMILESCC.CC.Cc1ccc2nc[c-]nc2c1.O=Cc1ccccc1.OC(c1ccccc1)c1ccc2nc[c-]nc2c1.[Y].[Y]
InChIInChI=1S/C15H11N2O.C9H7N2.C7H6O.2C2H6.2Y/c18-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)17-9-8-16-13;1-7-2-3-8-9(6-7)11-5-4-10-8;8-6-7-4-2-1-3-5-7;2*1-2;;/h1-8,10,15,18H;2-4,6H,1H3;1-6H;2*1-2H3;;/q2*-1;;;;;
InChIKeyGOYAZICRTLTKOA-UHFFFAOYSA-N
MW722.51 g/mol
LogP7.80
Rot. Bonds3

About benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)

benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium) (PubChem CID 161126482) has the molecular formula C35H36N4O2Y2-2 and a molecular weight of 722.51 g/mol. Its IUPAC name is benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium).

Molecular Properties

Compound Namebenzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)
PubChem CID161126482
Molecular FormulaC35H36N4O2Y2-2
Molecular Weight722.51 g/mol
Exact Mass722.10
IUPAC Namebenzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)
SMILESCC.CC.Cc1ccc2nc[c-]nc2c1.O=Cc1ccccc1.OC(c1ccccc1)c1ccc2nc[c-]nc2c1.[Y].[Y]
InChIInChI=1S/C15H11N2O.C9H7N2.C7H6O.2C2H6.2Y/c18-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)17-9-8-16-13;1-7-2-3-8-9(6-7)11-5-4-10-8;8-6-7-4-2-1-3-5-7;2*1-2;;/h1-8,10,15,18H;2-4,6H,1H3;1-6H;2*1-2H3;;/q2*-1;;;;;
InChIKeyGOYAZICRTLTKOA-UHFFFAOYSA-N
XLogP7.80
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.51
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;ethane;methane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)
CID 159108929
7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
6-methylquinoxaline;quinoxaline-6-carbaldehyde
CID 157496961
benzaldehyde;ethane;methanol
CID 143448374
3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
CID 101432485
benzaldehyde;ethane
CID 54495732
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene
CID 174455120
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)?
The IUPAC name of benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium) (CID 161126482) is benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium).
What is the SMILES notation for benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)?
The canonical SMILES for benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium) is CC.CC.Cc1ccc2nc[c-]nc2c1.O=Cc1ccccc1.OC(c1ccccc1)c1ccc2nc[c-]nc2c1.[Y].[Y].
What is the InChIKey of benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)?
The InChIKey is GOYAZICRTLTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2O.C9H7N2.C7H6O.2C2H6.2Y/c18-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)17-9-8-16-13;1-7-2-3-8-9(6-7)11-5-4-10-8;8-6-7-4-2-1-3-5-7;2*1-2;;/h1-8,10,15,18H;2-4,6H,1H3;1-6H;2*1-2H3;;/q2*-1;;;;;.
What are the key properties of benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium)?
benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium) has a molecular weight of 722.51 g/mol, XLogP of 7.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;ethane;7-methyl-2H-quinoxalin-2-ide;phenyl(3H-quinoxalin-3-id-6-yl)methanol;bis(yttrium) is sourced from PubChem (CID 161126482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).