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

C25H18N2O2 — CID 136907701

IUPAC(2E)-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-YWSZXEFUSA-N
MW378.43 g/mol
LogP5.25
Rot. Bonds5

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

(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 136907701) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID136907701
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(2E)-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-YWSZXEFUSA-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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Related Compounds

(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone
CID 139051846
(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium
CID 170896537
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
methyl N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioate iodide
CID 135777394
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 136907701) is (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-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 (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is HDARXOBQELQFES-YWSZXEFUSA-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 (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-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 (2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 136907701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).