6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone

C24H17N3O6 — CID 54705844

IUPAC6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
SMILESCn1c(=O)c2c3oc(=O)c(-c4ccccc4)c(O)c3c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C24H17N3O6/c1-25-20-17(21(29)26(2)24(25)32)19-16(22(30)27(20)14-11-7-4-8-12-14)18(28)15(23(31)33-19)13-9-5-3-6-10-13/h3-12,28H,1-2H3
InChIKeyANCGSKOQYMRFSH-UHFFFAOYSA-N
MW443.42 g/mol
LogP1.87
Rot. Bonds2

About 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone

6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone (PubChem CID 54705844) has the molecular formula C24H17N3O6 and a molecular weight of 443.42 g/mol. Its IUPAC name is 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone.

Molecular Properties

Compound Name6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
PubChem CID54705844
Molecular FormulaC24H17N3O6
Molecular Weight443.42 g/mol
Exact Mass443.11
IUPAC Name6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
SMILESCn1c(=O)c2c3oc(=O)c(-c4ccccc4)c(O)c3c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C24H17N3O6/c1-25-20-17(21(29)26(2)24(25)32)19-16(22(30)27(20)14-11-7-4-8-12-14)18(28)15(23(31)33-19)13-9-5-3-6-10-13/h3-12,28H,1-2H3
InChIKeyANCGSKOQYMRFSH-UHFFFAOYSA-N
XLogP1.87
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone?
The IUPAC name of 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone (CID 54705844) is 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone.
What is the SMILES notation for 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone?
The canonical SMILES for 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone is Cn1c(=O)c2c3oc(=O)c(-c4ccccc4)c(O)c3c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone?
The InChIKey is ANCGSKOQYMRFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O6/c1-25-20-17(21(29)26(2)24(25)32)19-16(22(30)27(20)14-11-7-4-8-12-14)18(28)15(23(31)33-19)13-9-5-3-6-10-13/h3-12,28H,1-2H3.
What are the key properties of 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone?
6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone has a molecular weight of 443.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone is sourced from PubChem (CID 54705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).