aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium

C22H22ClN3OY-2 — CID 164901741

IUPACaminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium
SMILES[NH-]CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.[NH-]N.[Y]
InChIInChI=1S/C22H19ClNO.H3N2.Y/c23-22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)25-16-15-24;1-2;/h1-14,24H,15-16H2;1H,2H2;/q2*-1;/b22-21+;;
InChIKeyRFEOFRRDJZAFLD-ZPZFBZIMSA-N
MW468.80 g/mol
LogP6.18
Rot. Bonds6

About aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium

aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium (PubChem CID 164901741) has the molecular formula C22H22ClN3OY-2 and a molecular weight of 468.80 g/mol. Its IUPAC name is aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium.

Molecular Properties

Compound Nameaminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium
PubChem CID164901741
Molecular FormulaC22H22ClN3OY-2
Molecular Weight468.80 g/mol
Exact Mass468.05
IUPAC Nameaminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium
SMILES[NH-]CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.[NH-]N.[Y]
InChIInChI=1S/C22H19ClNO.H3N2.Y/c23-22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)25-16-15-24;1-2;/h1-14,24H,15-16H2;1H,2H2;/q2*-1;/b22-21+;;
InChIKeyRFEOFRRDJZAFLD-ZPZFBZIMSA-N
XLogP6.18
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767
1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
CID 21469834
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
4-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-dipropylbutan-1-amine
CID 85451941
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
3-[(Z)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
CID 71494458
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-propoxybenzene;13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 159908078
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311

Frequently Asked Questions

What is the IUPAC name of aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium?
The IUPAC name of aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium (CID 164901741) is aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium.
What is the SMILES notation for aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium?
The canonical SMILES for aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium is [NH-]CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.[NH-]N.[Y].
What is the InChIKey of aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium?
The InChIKey is RFEOFRRDJZAFLD-ZPZFBZIMSA-N. The full InChI is InChI=1S/C22H19ClNO.H3N2.Y/c23-22(19-9-5-2-6-10-19)21(17-7-3-1-4-8-17)18-11-13-20(14-12-18)25-16-15-24;1-2;/h1-14,24H,15-16H2;1H,2H2;/q2*-1;/b22-21+;;.
What are the key properties of aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium?
aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium has a molecular weight of 468.80 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium is sourced from PubChem (CID 164901741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).