7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline

C41H25N3O — CID 167261663

About 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline

7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline (PubChem CID 167261663) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline.

Molecular Properties

• Compound Name: 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline
• PubChem CID: 167261663
• Molecular Formula: C41H25N3O
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.20
• IUPAC Name: 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline
• SMILES: c1ccc(-c2cc(-c3ccc4ncc(-c5ccc6c7c(cccc57)-c5ccccc5O6)nc4c3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C41H25N3O/c1-3-10-26(11-4-1)35-23-29(24-36(43-35)27-12-5-2-6-13-27)28-18-20-34-37(22-28)44-38(25-42-34)30-19-21-40-41-32(30)15-9-16-33(41)31-14-7-8-17-39(31)45-40/h1-25H
• InChIKey: OMZQAMAEMXYGDB-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline?

The IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline (CID 167261663) is 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline.

What is the SMILES notation for 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline?

The canonical SMILES for 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline is c1ccc(-c2cc(-c3ccc4ncc(-c5ccc6c7c(cccc57)-c5ccccc5O6)nc4c3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline?

The InChIKey is OMZQAMAEMXYGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-10-26(11-4-1)35-23-29(24-36(43-35)27-12-5-2-6-13-27)28-18-20-34-37(22-28)44-38(25-42-34)30-19-21-40-41-32(30)15-9-16-33(41)31-14-7-8-17-39(31)45-40/h1-25H.

What are the key properties of 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline?

7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline has a molecular weight of 575.67 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,6-diphenyl-4-pyridinyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)quinoxaline is sourced from PubChem (CID 167261663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).