carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)

C19H27N2O2Y2-3 — CID 158069887

IUPACcarbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)
SMILESCC.CC.[CH3-].[N-]=Cc1ccccc1O.[N-]=Cc1ccccc1O.[Y].[Y]
InChIInChI=1S/2C7H6NO.2C2H6.CH3.2Y/c2*8-5-6-3-1-2-4-7(6)9;2*1-2;;;/h2*1-5,9H;2*1-2H3;1H3;;/q2*-1;;;-1;;
InChIKeyYSEWHWODKSIREF-UHFFFAOYSA-N
MW493.25 g/mol
LogP5.26
Rot. Bonds2

About carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)

carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium) (PubChem CID 158069887) has the molecular formula C19H27N2O2Y2-3 and a molecular weight of 493.25 g/mol. Its IUPAC name is carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)
PubChem CID158069887
Molecular FormulaC19H27N2O2Y2-3
Molecular Weight493.25 g/mol
Exact Mass493.02
IUPAC Namecarbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)
SMILESCC.CC.[CH3-].[N-]=Cc1ccccc1O.[N-]=Cc1ccccc1O.[Y].[Y]
InChIInChI=1S/2C7H6NO.2C2H6.CH3.2Y/c2*8-5-6-3-1-2-4-7(6)9;2*1-2;;;/h2*1-5,9H;2*1-2H3;1H3;;/q2*-1;;;-1;;
InChIKeyYSEWHWODKSIREF-UHFFFAOYSA-N
XLogP5.26
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.25
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(methyliminomethyl)phenol
CID 136650397
2-(2,2-dibromoethenyl)phenol;ethane
CID 143581922
(2-hydroxyphenyl)methylideneiron
CID 87449748
2-ethenylphenol
CID 161061609
(2-hydroxyphenyl)methylideneruthenium(1+)
CID 145329555
CID 158421076
CID 158421076
zinc 2-(methyliminomethyl)phenol
CID 135422153
2-hydroxybenzaldehyde;methanamine
CID 174602056
CID 155704691
CID 155704691
CID 162316519
CID 162316519
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)?
The IUPAC name of carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium) (CID 158069887) is carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium).
What is the SMILES notation for carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)?
The canonical SMILES for carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium) is CC.CC.[CH3-].[N-]=Cc1ccccc1O.[N-]=Cc1ccccc1O.[Y].[Y].
What is the InChIKey of carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)?
The InChIKey is YSEWHWODKSIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6NO.2C2H6.CH3.2Y/c2*8-5-6-3-1-2-4-7(6)9;2*1-2;;;/h2*1-5,9H;2*1-2H3;1H3;;/q2*-1;;;-1;;.
What are the key properties of carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)?
carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium) has a molecular weight of 493.25 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium) is sourced from PubChem (CID 158069887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).