2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione

C44H36N4O4 — CID 139056191

IUPAC2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
SMILESCn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O.Cn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/2C22H18N2O2/c2*1-23-19(15-9-5-3-6-10-15)13-18-17(21(23)25)14-20(24(2)22(18)26)16-11-7-4-8-12-16/h2*3-14H,1-2H3
InChIKeyJSUDSKBQMNQLIH-UHFFFAOYSA-N
MW684.80 g/mol
LogP7.14
Rot. Bonds4

About 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione

2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione (PubChem CID 139056191) has the molecular formula C44H36N4O4 and a molecular weight of 684.80 g/mol. Its IUPAC name is 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione.

Molecular Properties

Compound Name2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
PubChem CID139056191
Molecular FormulaC44H36N4O4
Molecular Weight684.80 g/mol
Exact Mass684.27
IUPAC Name2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
SMILESCn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O.Cn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/2C22H18N2O2/c2*1-23-19(15-9-5-3-6-10-15)13-18-17(21(23)25)14-20(24(2)22(18)26)16-11-7-4-8-12-16/h2*3-14H,1-2H3
InChIKeyJSUDSKBQMNQLIH-UHFFFAOYSA-N
XLogP7.14
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.80
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione?
The IUPAC name of 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione (CID 139056191) is 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione.
What is the SMILES notation for 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione?
The canonical SMILES for 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione is Cn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O.Cn1c(-c2ccccc2)cc2c(=O)n(C)c(-c3ccccc3)cc2c1=O.
What is the InChIKey of 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione?
The InChIKey is JSUDSKBQMNQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N2O2/c2*1-23-19(15-9-5-3-6-10-15)13-18-17(21(23)25)14-20(24(2)22(18)26)16-11-7-4-8-12-16/h2*3-14H,1-2H3.
What are the key properties of 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione?
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione has a molecular weight of 684.80 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione is sourced from PubChem (CID 139056191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).