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

C56H34O — CID 167407384

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

1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (PubChem CID 167407384) has the molecular formula C56H34O and a molecular weight of 744.02 g/mol. Its IUPAC name is 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• PubChem CID: 167407384
• Molecular Formula: C56H34O
• Molecular Weight: 744.02 g/mol
• Exact Mass: 743.39
• IUPAC Name: 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-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(oc3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c32)c1-c1ccc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)cccc2c1
• InChI: InChI=1S/C56H34O/c1-2-14-37-32-38(27-26-35(37)12-1)39-28-31-45-52-25-11-22-44(56(52)57-53(45)34-39)41-29-30-43-40(33-41)16-10-24-47(43)55-50-20-7-5-18-48(50)54(49-19-6-8-21-51(49)55)46-23-9-15-36-13-3-4-17-42(36)46/h1-34H/i3D,4D,5D,6D,7D,8D,9D,11D,13D,15D,17D,18D,19D,20D,21D,22D,23D,25D,28D,31D,34D
• InChIKey: ZWBZFBYVFILQOB-FFSTWFFYSA-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 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The IUPAC name of 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (CID 167407384) is 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

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

The canonical SMILES for 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-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(oc3c([2H])c(-c4ccc5ccccc5c4)c([2H])c([2H])c32)c1-c1ccc2c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)cccc2c1.

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

The InChIKey is ZWBZFBYVFILQOB-FFSTWFFYSA-N. The full InChI is InChI=1S/C56H34O/c1-2-14-37-32-38(27-26-35(37)12-1)39-28-31-45-52-25-11-22-44(56(52)57-53(45)34-39)41-29-30-43-40(33-41)16-10-24-47(43)55-50-20-7-5-18-48(50)54(49-19-6-8-21-51(49)55)46-23-9-15-36-13-3-4-17-42(36)46/h1-34H/i3D,4D,5D,6D,7D,8D,9D,11D,13D,15D,17D,18D,19D,20D,21D,22D,23D,25D,28D,31D,34D.

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

1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran 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 1,2,3,6,8,9-hexadeuterio-7-naphthalen-2-yl-4-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 167407384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).