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

C56H34O — CID 167407021

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

8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran (PubChem CID 167407021) has the molecular formula C56H34O and a molecular weight of 744.02 g/mol. Its IUPAC name is 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran.

Molecular Properties

• Compound Name: 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran
• PubChem CID: 167407021
• Molecular Formula: C56H34O
• Molecular Weight: 744.02 g/mol
• Exact Mass: 743.39
• IUPAC Name: 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5c(-c6ccc7oc8cccc(-c9cccc%10ccccc9%10)c8c7c6)c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C56H34O/c1-2-15-37-33-39(30-29-35(37)13-1)54-47-18-5-7-20-49(47)55(50-21-8-6-19-48(50)54)45-26-11-24-42-41(22-10-25-44(42)45)38-31-32-52-51(34-38)56-46(27-12-28-53(56)57-52)43-23-9-16-36-14-3-4-17-40(36)43/h1-34H/i1D,2D,5D,6D,7D,8D,10D,11D,13D,15D,18D,19D,20D,21D,22D,24D,25D,26D,29D,30D,33D
• InChIKey: BKDPUZCHNDNOEK-HCVFXYIPSA-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	744.02
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 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran?

The IUPAC name of 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran (CID 167407021) is 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran.

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

The canonical SMILES for 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran is [2H]c1c([2H])c([2H])c2c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5c(-c6ccc7oc8cccc(-c9cccc%10ccccc9%10)c8c7c6)c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c2c1[2H].

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

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

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

8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran has a molecular weight of 744.02 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 8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 167407021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).