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

C56H34O — CID 167407298

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

1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (PubChem CID 167407298) has the molecular formula C56H34O and a molecular weight of 757.09 g/mol. Its IUPAC name is 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• PubChem CID: 167407298
• Molecular Formula: C56H34O
• Molecular Weight: 757.09 g/mol
• Exact Mass: 756.47
• IUPAC Name: 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• SMILES: [2H]c1c(-c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c2c(oc3c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C56H34O/c1-3-15-38-32-40(26-24-35(38)12-1)41-29-31-52-51(34-41)50-23-11-22-49(56(50)57-52)48-30-28-37-14-5-6-17-43(37)54(48)55-46-20-9-7-18-44(46)53(45-19-8-10-21-47(45)55)42-27-25-36-13-2-4-16-39(36)33-42/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,33D,34D
• InChIKey: QZNFNGRPCIDLLO-DZILRNTESA-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	757.09
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 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The IUPAC name of 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (CID 167407298) is 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

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

The canonical SMILES for 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is [2H]c1c(-c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c2c(oc3c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c([2H])c([2H])c32)c1[2H].

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

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

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

1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran has a molecular weight of 757.09 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 1,2,3,6,7,9-hexadeuterio-8-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-[3,4,5,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 167407298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).