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

C56H34O — CID 167405613

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

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (PubChem CID 167405613) has the molecular formula C56H34O and a molecular weight of 743.01 g/mol. Its IUPAC name is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• PubChem CID: 167405613
• Molecular Formula: C56H34O
• Molecular Weight: 743.01 g/mol
• Exact Mass: 742.39
• IUPAC Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c(-c8c9ccccc9c(-c9c([2H])c([2H])c([2H])c%10c([2H])c([2H])c([2H])c([2H])c9%10)c9ccccc89)c7c6[2H])ccc5c4c3)c([2H])c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C56H34O/c1-3-17-41-35(12-1)14-9-23-43(41)40-29-31-53-52(33-40)44-30-28-39(34-54(44)57-53)38-27-26-37-16-11-25-50(51(37)32-38)56-48-21-7-5-19-46(48)55(47-20-6-8-22-49(47)56)45-24-10-15-36-13-2-4-18-42(36)45/h1-34H/i1D,2D,3D,4D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,32D
• InChIKey: RAJUMZNLKKZHQQ-LONGOXEHSA-N
• XLogP: 16.02
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.01
LogP ≤ 5	16.02
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 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (CID 167405613) is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

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

The canonical SMILES for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c(-c8c9ccccc9c(-c9c([2H])c([2H])c([2H])c%10c([2H])c([2H])c([2H])c([2H])c9%10)c9ccccc89)c7c6[2H])ccc5c4c3)c([2H])c([2H])c([2H])c2c1[2H].

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

The InChIKey is RAJUMZNLKKZHQQ-LONGOXEHSA-N. The full InChI is InChI=1S/C56H34O/c1-3-17-41-35(12-1)14-9-23-43(41)40-29-31-53-52(33-40)44-30-28-39(34-54(44)57-53)38-27-26-37-16-11-25-50(51(37)32-38)56-48-21-7-5-19-46(48)55(47-20-6-8-22-49(47)56)45-24-10-15-36-13-2-4-18-42(36)45/h1-34H/i1D,2D,3D,4D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,32D.

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

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran has a molecular weight of 743.01 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-7-[1,3,4,5,6,7-hexadeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 167405613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).