1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 167406379

About 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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

1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 167406379) has the molecular formula C56H34O and a molecular weight of 756.09 g/mol. Its IUPAC name is 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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: 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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: 167406379
• Molecular Formula: C56H34O
• Molecular Weight: 756.09 g/mol
• Exact Mass: 755.47
• IUPAC Name: 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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([2H])c([2H])c(-c3c([2H])c([2H])c4oc5c([2H])c([2H])c([2H])c(-c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c6[2H])c5c4c3[2H])cc2c1-c1c2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c2c([2H])c([2H])c([2H])c([2H])c12
• InChI: InChI=1S/C56H34O/c1-2-14-38-32-41(29-26-35(38)12-1)43-22-11-25-53-56(43)51-34-40(30-31-52(51)57-53)39-28-27-37-16-10-24-49(50(37)33-39)55-47-20-7-5-18-45(47)54(46-19-6-8-21-48(46)55)44-23-9-15-36-13-3-4-17-42(36)44/h1-34H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,34D
• InChIKey: AKJNZQVVLUESCZ-RKPHJNMZSA-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	756.09
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 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 167406379) is 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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([2H])c([2H])c(-c3c([2H])c([2H])c4oc5c([2H])c([2H])c([2H])c(-c6c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c6[2H])c5c4c3[2H])cc2c1-c1c2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c2c([2H])c([2H])c([2H])c([2H])c12.

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

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

1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 756.09 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 1,3,4,6,7,8-hexadeuterio-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-[3,4,5,6,7-pentadeuterio-8-[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 167406379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).