7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one

C28H19NO3 — CID 10549884

IUPAC7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(N=C(c3ccccc3)c3ccccc3)cc(O)c12
InChIInChI=1S/C28H19NO3/c30-23-16-22(29-28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)17-26-27(23)24(31)18-25(32-26)19-10-4-1-5-11-19/h1-18,30H
InChIKeyDCDUSHWKJPDWMR-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.33
Rot. Bonds4

About 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one

7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one (PubChem CID 10549884) has the molecular formula C28H19NO3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one
PubChem CID10549884
Molecular FormulaC28H19NO3
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC Name7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(N=C(c3ccccc3)c3ccccc3)cc(O)c12
InChIInChI=1S/C28H19NO3/c30-23-16-22(29-28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)17-26-27(23)24(31)18-25(32-26)19-10-4-1-5-11-19/h1-18,30H
InChIKeyDCDUSHWKJPDWMR-UHFFFAOYSA-N
XLogP6.33
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 172853606
CID 172853606
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(furan-3-yl)-5-hydroxy-2-phenylchromen-4-one
CID 164524526
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643

Frequently Asked Questions

What is the IUPAC name of 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one (CID 10549884) is 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(N=C(c3ccccc3)c3ccccc3)cc(O)c12.
What is the InChIKey of 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is DCDUSHWKJPDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO3/c30-23-16-22(29-28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)17-26-27(23)24(31)18-25(32-26)19-10-4-1-5-11-19/h1-18,30H.
What are the key properties of 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one?
7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 417.46 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzhydrylideneamino)-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 10549884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).