[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)

C26H24F6N4O5 — CID 162326867

IUPAC[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)
SMILESNN=Cc1cccc(COCc2ccccc2-c2cccc(C=NN)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N4O.2C2HF3O2/c23-25-13-17-5-3-7-19(11-17)15-27-16-21-8-1-2-10-22(21)20-9-4-6-18(12-20)14-26-24;2*3-2(4,5)1(6)7/h1-14H,15-16,23-24H2;2*(H,6,7)
InChIKeyIOZMIZAQPCNZKJ-UHFFFAOYSA-N
MW586.49 g/mol
LogP4.92
Rot. Bonds7

About [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)

[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162326867) has the molecular formula C26H24F6N4O5 and a molecular weight of 586.49 g/mol. Its IUPAC name is [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID162326867
Molecular FormulaC26H24F6N4O5
Molecular Weight586.49 g/mol
Exact Mass586.17
IUPAC Name[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)
SMILESNN=Cc1cccc(COCc2ccccc2-c2cccc(C=NN)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N4O.2C2HF3O2/c23-25-13-17-5-3-7-19(11-17)15-27-16-21-8-1-2-10-22(21)20-9-4-6-18(12-20)14-26-24;2*3-2(4,5)1(6)7/h1-14H,15-16,23-24H2;2*(H,6,7)
InChIKeyIOZMIZAQPCNZKJ-UHFFFAOYSA-N
XLogP4.92
TPSA160.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.49
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid) (CID 162326867) is [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid) is NN=Cc1cccc(COCc2ccccc2-c2cccc(C=NN)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IOZMIZAQPCNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.2C2HF3O2/c23-25-13-17-5-3-7-19(11-17)15-27-16-21-8-1-2-10-22(21)20-9-4-6-18(12-20)14-26-24;2*3-2(4,5)1(6)7/h1-14H,15-16,23-24H2;2*(H,6,7).
What are the key properties of [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid)?
[3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 586.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(3-methanehydrazonoylphenyl)methoxymethyl]phenyl]phenyl]methylidenehydrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162326867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).