3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C32H20O — CID 177297840

About 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 177297840) has the molecular formula C32H20O and a molecular weight of 429.57 g/mol. Its IUPAC name is 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• PubChem CID: 177297840
• Molecular Formula: C32H20O
• Molecular Weight: 429.57 g/mol
• Exact Mass: 429.21
• IUPAC Name: 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccccc3-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c-2c13
• InChI: InChI=1S/C32H20O/c1-2-11-22-21(9-1)10-7-15-23(22)24-12-3-4-13-25(24)26-19-20-31-32-28(26)16-8-17-29(32)27-14-5-6-18-30(27)33-31/h1-20H/i5D,6D,8D,14D,16D,17D,18D,19D,20D
• InChIKey: WUKFKDXADGKCPR-NCVUEMOISA-N
• XLogP: 9.10
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.57
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The IUPAC name of 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 177297840) is 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

What is the SMILES notation for 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The canonical SMILES for 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccccc3-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c-2c13.

What is the InChIKey of 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The InChIKey is WUKFKDXADGKCPR-NCVUEMOISA-N. The full InChI is InChI=1S/C32H20O/c1-2-11-22-21(9-1)10-7-15-23(22)24-12-3-4-13-25(24)26-19-20-31-32-28(26)16-8-17-29(32)27-14-5-6-18-30(27)33-31/h1-20H/i5D,6D,8D,14D,16D,17D,18D,19D,20D.

What are the key properties of 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 429.57 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 177297840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).