2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol

C28H24N2O2 — CID 135448899

IUPAC2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32/h1-20,27-28,31-32H/b29-19+,30-20+/t27-,28-/m0/s1
InChIKeyXYGQIEGQKDYFMG-LFOGQNNZSA-N
MW420.51 g/mol
LogP6.12
Rot. Bonds7

About 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol

2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol (PubChem CID 135448899) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
PubChem CID135448899
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32/h1-20,27-28,31-32H/b29-19+,30-20+/t27-,28-/m0/s1
InChIKeyXYGQIEGQKDYFMG-LFOGQNNZSA-N
XLogP6.12
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol (CID 135448899) is 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol is Oc1ccccc1/C=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The InChIKey is XYGQIEGQKDYFMG-LFOGQNNZSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32/h1-20,27-28,31-32H/b29-19+,30-20+/t27-,28-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol is sourced from PubChem (CID 135448899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).