(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone

C25H18N2O — CID 6906610

IUPAC(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C\c1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N2O/c28-25(21-13-5-2-6-14-21)24(20-11-3-1-4-12-20)27-26-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-18H/b26-18+,27-24-
InChIKeyZQCLREBIUQWPCP-IVBPLKSUSA-N
MW362.43 g/mol
LogP5.55
Rot. Bonds5

About (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 6906610) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID6906610
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C\c1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18N2O/c28-25(21-13-5-2-6-14-21)24(20-11-3-1-4-12-20)27-26-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-18H/b26-18+,27-24-
InChIKeyZQCLREBIUQWPCP-IVBPLKSUSA-N
XLogP5.55
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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1(2H)-Naphthalenone, 3,4-dihydro-2-(1-naphthalenylmethylene)-
CID 5378200
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
2-(Naphthalen-1-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
CID 268512
2-(Cinnamylidenehydrazineylidene)-2-phenylacetophenone
CID 9688448
(8-Benzylnaphthalen-1-yl)(phenyl)methanone
CID 10567854
2-Diazo-1-naphthalen-2-ylethanone
CID 3415989
2-Diazo-1-(1-naphthyl)ethanone
CID 73176926
2-Naphthalen-1-yl-1,3-diphenylprop-2-en-1-one
CID 90949381
Naphthyl chalcone
CID 129731029
(10E)-10-diazophenanthren-9-one
CID 139225996

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone (CID 6906610) is (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C\c1cccc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is ZQCLREBIUQWPCP-IVBPLKSUSA-N. The full InChI is InChI=1S/C25H18N2O/c28-25(21-13-5-2-6-14-21)24(20-11-3-1-4-12-20)27-26-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-18H/b26-18+,27-24-.
What are the key properties of (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 362.43 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6906610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).