2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol

C27H19N3O2 — CID 2838519

IUPAC2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2cc3ccc(/N=C/c4ccccc4O)cc3nc2c1
InChIInChI=1S/C27H19N3O2/c31-26-7-3-1-5-20(26)16-28-22-11-9-18-13-19-10-12-23(15-25(19)30-24(18)14-22)29-17-21-6-2-4-8-27(21)32/h1-17,31-32H/b28-16+,29-17+
InChIKeyKBQQIFIUJODQPJ-LPHFKDDMSA-N
MW417.47 g/mol
LogP6.30
Rot. Bonds4

About 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol

2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol (PubChem CID 2838519) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol
PubChem CID2838519
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2cc3ccc(/N=C/c4ccccc4O)cc3nc2c1
InChIInChI=1S/C27H19N3O2/c31-26-7-3-1-5-20(26)16-28-22-11-9-18-13-19-10-12-23(15-25(19)30-24(18)14-22)29-17-21-6-2-4-8-27(21)32/h1-17,31-32H/b28-16+,29-17+
InChIKeyKBQQIFIUJODQPJ-LPHFKDDMSA-N
XLogP6.30
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol (CID 2838519) is 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc2cc3ccc(/N=C/c4ccccc4O)cc3nc2c1.
What is the InChIKey of 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol?
The InChIKey is KBQQIFIUJODQPJ-LPHFKDDMSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-26-7-3-1-5-20(26)16-28-22-11-9-18-13-19-10-12-23(15-25(19)30-24(18)14-22)29-17-21-6-2-4-8-27(21)32/h1-17,31-32H/b28-16+,29-17+.
What are the key properties of 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol?
2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol has a molecular weight of 417.47 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxyphenyl)methylideneamino]acridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 2838519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).