2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

C34H20O2 — CID 176745698

About 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran

2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176745698) has the molecular formula C34H20O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

• Compound Name: 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
• PubChem CID: 176745698
• Molecular Formula: C34H20O2
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.27
• IUPAC Name: 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
• SMILES: [2H]c1oc2c(c1[2H])c([2H])c([2H])c1oc3c([2H])c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c3c12
• InChI: InChI=1S/C34H20O2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32(27)33-29(36-28)18-17-22-19-20-35-34(22)33/h1-20H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D
• InChIKey: CQJXLHRZDGQFQZ-LODXIBBESA-N
• XLogP: 9.97
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The IUPAC name of 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran (CID 176745698) is 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran.

What is the SMILES notation for 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The canonical SMILES for 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is [2H]c1oc2c(c1[2H])c([2H])c([2H])c1oc3c([2H])c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c3c12.

What is the InChIKey of 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

The InChIKey is CQJXLHRZDGQFQZ-LODXIBBESA-N. The full InChI is InChI=1S/C34H20O2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32(27)33-29(36-28)18-17-22-19-20-35-34(22)33/h1-20H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D.

What are the key properties of 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran?

2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 480.65 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,7,8,9-heptadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176745698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).