2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

C168H104O4 — CID 165087827

About 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 165087827) has the molecular formula C168H104O4 and a molecular weight of 2218.87 g/mol. Its IUPAC name is 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
• PubChem CID: 165087827
• Molecular Formula: C168H104O4
• Molecular Weight: 2218.87 g/mol
• Exact Mass: 2216.99
• IUPAC Name: 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2c([2H])c([2H])c([2H])c(-c3ccc4oc5ccccc5c4c3)c2c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
• InChI: InChI=1S/4C42H26O/c4*1-2-12-27(13-3-1)41-34-15-4-6-17-36(34)42(37-18-7-5-16-35(37)41)33-22-11-20-30-29(19-10-21-31(30)33)28-24-25-40-38(26-28)32-14-8-9-23-39(32)43-40/h4*1-26H/i1D,2D,3D,4D,5D,6D,7D,12D,13D,15D,16D,17D,18D;4D,5D,6D,7D,15D,16D,17D,18D;10D,11D,19D,20D,21D,22D;1D,2D,3D,12D,13D
• InChIKey: WEQDGCJXLFRNMO-FMEJQAKISA-N
• XLogP: 48.19
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2218.87
LogP ≤ 5	48.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The IUPAC name of 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (CID 165087827) is 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

What is the SMILES notation for 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The canonical SMILES for 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is [2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2c([2H])c([2H])c([2H])c(-c3ccc4oc5ccccc5c4c3)c2c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].

What is the InChIKey of 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

The InChIKey is WEQDGCJXLFRNMO-FMEJQAKISA-N. The full InChI is InChI=1S/4C42H26O/c4*1-2-12-27(13-3-1)41-34-15-4-6-17-36(34)42(37-18-7-5-16-35(37)41)33-22-11-20-30-29(19-10-21-31(30)33)28-24-25-40-38(26-28)32-14-8-9-23-39(32)43-40/h4*1-26H/i1D,2D,3D,4D,5D,6D,7D,12D,13D,15D,16D,17D,18D;4D,5D,6D,7D,15D,16D,17D,18D;10D,11D,19D,20D,21D,22D;1D,2D,3D,12D,13D.

What are the key properties of 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?

2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran has a molecular weight of 2218.87 g/mol, XLogP of 48.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 165087827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).