(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine

C22H17NO2 — CID 134760192

IUPAC(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine
SMILESO/N=C1C(=C\c2ccccc2)/C(c2ccccc2)Oc2ccccc2/1
InChIInChI=1S/C22H17NO2/c24-23-21-18-13-7-8-14-20(18)25-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22,24H/b19-15+,23-21+
InChIKeyQBQHFLJYAZQNHP-ZTKBUNODSA-N
MW327.38 g/mol
LogP5.08
Rot. Bonds2

About (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine

(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine (PubChem CID 134760192) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine
PubChem CID134760192
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine
SMILESO/N=C1C(=C\c2ccccc2)/C(c2ccccc2)Oc2ccccc2/1
InChIInChI=1S/C22H17NO2/c24-23-21-18-13-7-8-14-20(18)25-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22,24H/b19-15+,23-21+
InChIKeyQBQHFLJYAZQNHP-ZTKBUNODSA-N
XLogP5.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
CID 14068741
3-benzylidene-1-benzofuran-2-ol
CID 67805873
2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
CID 2802342
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
(2S,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977118
(2S,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylchromen-4-one
CID 7998178
(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977119
3-N,4-N-dimethoxy-2-phenylchromene-3,4-diimine
CID 10325529
(2R)-2-phenyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]chromen-4-one
CID 7036488
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
CID 838807

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine (CID 134760192) is (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine is O/N=C1C(=C\c2ccccc2)/C(c2ccccc2)Oc2ccccc2/1.
What is the InChIKey of (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine?
The InChIKey is QBQHFLJYAZQNHP-ZTKBUNODSA-N. The full InChI is InChI=1S/C22H17NO2/c24-23-21-18-13-7-8-14-20(18)25-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22,24H/b19-15+,23-21+.
What are the key properties of (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine has a molecular weight of 327.38 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3E)-3-benzylidene-2-phenylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 134760192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).