3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one

C24H19N3O3 — CID 163183711

IUPAC3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one
SMILESCC1=NN(c2ccccc2)C(=O)C12ON=C(c1ccc(O)cc1)C2c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-16-24(23(29)27(25-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)22(26-30-24)18-12-14-20(28)15-13-18/h2-15,21,28H,1H3
InChIKeyJLJTZONRDCMRNS-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.07
Rot. Bonds3

About 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one

3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one (PubChem CID 163183711) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one
PubChem CID163183711
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one
SMILESCC1=NN(c2ccccc2)C(=O)C12ON=C(c1ccc(O)cc1)C2c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-16-24(23(29)27(25-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)22(26-30-24)18-12-14-20(28)15-13-18/h2-15,21,28H,1H3
InChIKeyJLJTZONRDCMRNS-UHFFFAOYSA-N
XLogP4.07
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one?
The IUPAC name of 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one (CID 163183711) is 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one is CC1=NN(c2ccccc2)C(=O)C12ON=C(c1ccc(O)cc1)C2c1ccccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one?
The InChIKey is JLJTZONRDCMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-16-24(23(29)27(25-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)22(26-30-24)18-12-14-20(28)15-13-18/h2-15,21,28H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one?
3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one has a molecular weight of 397.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-6-methyl-4,8-diphenyl-1-oxa-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one is sourced from PubChem (CID 163183711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).