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

C52H32O — CID 167405619

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

4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran (PubChem CID 167405619) has the molecular formula C52H32O and a molecular weight of 691.94 g/mol. Its IUPAC name is 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran.

Molecular Properties

• Compound Name: 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran
• PubChem CID: 167405619
• Molecular Formula: C52H32O
• Molecular Weight: 691.94 g/mol
• Exact Mass: 691.36
• IUPAC Name: 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4cccc5c4oc4c(-c6cccc7ccccc67)cccc45)c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/C52H32O/c1-2-16-34(17-3-1)49-40-22-8-10-24-42(40)50(43-25-11-9-23-41(43)49)44-32-31-39(37-20-6-7-21-38(37)44)46-28-14-30-48-47-29-13-27-45(51(47)53-52(46)48)36-26-12-18-33-15-4-5-19-35(33)36/h1-32H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,16D,17D,20D,21D,22D,23D,24D,25D,31D,32D
• InChIKey: FMMQZKHGWTUYFH-SBRUJWLQSA-N
• XLogP: 14.87
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.94
LogP ≤ 5	14.87
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 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran?

The IUPAC name of 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran (CID 167405619) is 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran.

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

The canonical SMILES for 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4cccc5c4oc4c(-c6cccc7ccccc67)cccc45)c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].

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

The InChIKey is FMMQZKHGWTUYFH-SBRUJWLQSA-N. The full InChI is InChI=1S/C52H32O/c1-2-16-34(17-3-1)49-40-22-8-10-24-42(40)50(43-25-11-9-23-41(43)49)44-32-31-39(37-20-6-7-21-38(37)44)46-28-14-30-48-47-29-13-27-45(51(47)53-52(46)48)36-26-12-18-33-15-4-5-19-35(33)36/h1-32H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,16D,17D,20D,21D,22D,23D,24D,25D,31D,32D.

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

4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran has a molecular weight of 691.94 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 167405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).