diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one

C27H20N2O5 — CID 174845080

IUPACdiphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H10O5.C12H10N2/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,17-19H;1-10H/b;14-13+
InChIKeyVUFUIPKJCBVIDV-SLTJUJPSSA-N
MW452.47 g/mol
LogP6.68
Rot. Bonds3

About diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one

diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one (PubChem CID 174845080) has the molecular formula C27H20N2O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Namediphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
PubChem CID174845080
Molecular FormulaC27H20N2O5
Molecular Weight452.47 g/mol
Exact Mass452.14
IUPAC Namediphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H10O5.C12H10N2/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,17-19H;1-10H/b;14-13+
InChIKeyVUFUIPKJCBVIDV-SLTJUJPSSA-N
XLogP6.68
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
CID 172853606
CID 172853606
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,6,7-trihydroxy-2-phenylchromen-4-one;1,3,7-trimethylpurine-2,6-dione
CID 129098991
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702

Frequently Asked Questions

What is the IUPAC name of diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one?
The IUPAC name of diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one (CID 174845080) is diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one?
The canonical SMILES for diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one?
The InChIKey is VUFUIPKJCBVIDV-SLTJUJPSSA-N. The full InChI is InChI=1S/C15H10O5.C12H10N2/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-7,17-19H;1-10H/b;14-13+.
What are the key properties of diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one?
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one has a molecular weight of 452.47 g/mol, XLogP of 6.68, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 174845080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).