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

C36H22O — CID 153473487

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

10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 153473487) has the molecular formula C36H22O and a molecular weight of 483.65 g/mol. Its IUPAC name is 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 153473487
• Molecular Formula: C36H22O
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.25
• IUPAC Name: 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/C36H22O/c1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-20-32-31(22-25)36-26-13-5-4-10-23(26)18-21-33(36)37-32/h1-22H/i1D,2D,3D,6D,7D,8D,9D,11D,12D,14D,15D,16D,17D
• InChIKey: LNCJWUCXEOFQSE-SYCYICNTSA-N
• XLogP: 10.38
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 153473487) is 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

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

The canonical SMILES for 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].

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

The InChIKey is LNCJWUCXEOFQSE-SYCYICNTSA-N. The full InChI is InChI=1S/C36H22O/c1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-20-32-31(22-25)36-26-13-5-4-10-23(26)18-21-33(36)37-32/h1-22H/i1D,2D,3D,6D,7D,8D,9D,11D,12D,14D,15D,16D,17D.

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

10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 483.65 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 153473487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).