(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone

C25H18N2O2 — CID 135884923

IUPAC(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(19-10-3-1-4-11-19)25(29)20-12-5-2-6-13-20/h1-17,28H/b26-17-,27-24-
InChIKeyHDARXOBQELQFES-LXJFTCGDSA-N
MW378.43 g/mol
LogP5.25
Rot. Bonds5

About (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135884923) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135884923
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(19-10-3-1-4-11-19)25(29)20-12-5-2-6-13-20/h1-17,28H/b26-17-,27-24-
InChIKeyHDARXOBQELQFES-LXJFTCGDSA-N
XLogP5.25
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', '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 (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 135884923) is (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is HDARXOBQELQFES-LXJFTCGDSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(19-10-3-1-4-11-19)25(29)20-12-5-2-6-13-20/h1-17,28H/b26-17-,27-24-.
What are the key properties of (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 378.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135884923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).