2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol

C28H24N2O2 — CID 614122

IUPAC2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C(=N/CC/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)27(21-11-3-1-4-12-21)29-19-20-30-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)32/h1-18,31-32H,19-20H2/b29-27+,30-28+
InChIKeyASMHALVTFNJUDI-QAVVBOBSSA-N
MW420.51 g/mol
LogP5.47
Rot. Bonds7

About 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol

2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol (PubChem CID 614122) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol
PubChem CID614122
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C(=N/CC/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)27(21-11-3-1-4-12-21)29-19-20-30-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)32/h1-18,31-32H,19-20H2/b29-27+,30-28+
InChIKeyASMHALVTFNJUDI-QAVVBOBSSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis(salicylidene)ethylenediamine
CID 26518
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 411012
N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 4608370
Salcomin
CID 135421911
Cobalt(2+);2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135794353
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135974350
N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)ethylenediaminocobalt(II) hydrate
CID 135442959
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol (CID 614122) is 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol is Oc1ccccc1/C(=N/CC/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol?
The InChIKey is ASMHALVTFNJUDI-QAVVBOBSSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-25-17-9-7-15-23(25)27(21-11-3-1-4-12-21)29-19-20-30-28(22-13-5-2-6-14-22)24-16-8-10-18-26(24)32/h1-18,31-32H,19-20H2/b29-27+,30-28+.
What are the key properties of 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol?
2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 614122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).