1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol

C23H16N2O3 — CID 2193773

IUPAC1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H16N2O3/c26-23-14-9-18-3-1-2-4-21(18)22(23)15-24-19-10-5-16(6-11-19)17-7-12-20(13-8-17)25(27)28/h1-15,26H/b24-15+
InChIKeyNCUMXWVLFJUMEX-BUVRLJJBSA-N
MW368.39 g/mol
LogP5.87
Rot. Bonds4

About 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 2193773) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID2193773
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H16N2O3/c26-23-14-9-18-3-1-2-4-21(18)22(23)15-24-19-10-5-16(6-11-19)17-7-12-20(13-8-17)25(27)28/h1-15,26H/b24-15+
InChIKeyNCUMXWVLFJUMEX-BUVRLJJBSA-N
XLogP5.87
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol (CID 2193773) is 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is NCUMXWVLFJUMEX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-23-14-9-18-3-1-2-4-21(18)22(23)15-24-19-10-5-16(6-11-19)17-7-12-20(13-8-17)25(27)28/h1-15,26H/b24-15+.
What are the key properties of 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 368.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-nitrophenyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 2193773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).