(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one

C33H25NO2 — CID 102204810

IUPAC(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one
SMILESO=C1/C(=C\NCc2cccc3ccccc23)[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C33H25NO2/c35-32-29-15-6-7-16-31(29)36-33(26-19-17-24(18-20-26)23-9-2-1-3-10-23)30(32)22-34-21-27-13-8-12-25-11-4-5-14-28(25)27/h1-20,22,33-34H,21H2/b30-22+/t33-/m0/s1
InChIKeyLGCYJKFDNMHBRW-XTGQZIRNSA-N
MW467.57 g/mol
LogP7.50
Rot. Bonds5

About (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one

(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one (PubChem CID 102204810) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one.

Molecular Properties

Compound Name(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one
PubChem CID102204810
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one
SMILESO=C1/C(=C\NCc2cccc3ccccc23)[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C33H25NO2/c35-32-29-15-6-7-16-31(29)36-33(26-19-17-24(18-20-26)23-9-2-1-3-10-23)30(32)22-34-21-27-13-8-12-25-11-4-5-14-28(25)27/h1-20,22,33-34H,21H2/b30-22+/t33-/m0/s1
InChIKeyLGCYJKFDNMHBRW-XTGQZIRNSA-N
XLogP7.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(octylamino)methylidene]-2-phenylchromen-4-one
CID 50917564
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
CID 838807
(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
CID 7036488
(2R,3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 2101188
(2S,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977118
2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
CID 2802342
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
CID 7998178

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one?
The IUPAC name of (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one (CID 102204810) is (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one.
What is the SMILES notation for (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one?
The canonical SMILES for (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one is O=C1/C(=C\NCc2cccc3ccccc23)[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21.
What is the InChIKey of (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one?
The InChIKey is LGCYJKFDNMHBRW-XTGQZIRNSA-N. The full InChI is InChI=1S/C33H25NO2/c35-32-29-15-6-7-16-31(29)36-33(26-19-17-24(18-20-26)23-9-2-1-3-10-23)30(32)22-34-21-27-13-8-12-25-11-4-5-14-28(25)27/h1-20,22,33-34H,21H2/b30-22+/t33-/m0/s1.
What are the key properties of (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one?
(2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one has a molecular weight of 467.57 g/mol, XLogP of 7.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-[(naphthalen-1-ylmethylamino)methylidene]-2-(4-phenylphenyl)chromen-4-one is sourced from PubChem (CID 102204810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).