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

C52H32O — CID 167406941

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

2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran (PubChem CID 167406941) has the molecular formula C52H32O and a molecular weight of 691.94 g/mol. Its IUPAC name is 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran.

Molecular Properties

• Compound Name: 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran
• PubChem CID: 167406941
• Molecular Formula: C52H32O
• Molecular Weight: 691.94 g/mol
• Exact Mass: 691.36
• IUPAC Name: 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c(-c5ccc6oc7cc(-c8ccc9ccccc9c8)ccc7c6c5)c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/C52H32O/c1-2-11-34(12-3-1)51-44-14-6-8-16-46(44)52(47-17-9-7-15-45(47)51)42-23-22-36-29-37(20-21-39(36)30-42)40-25-27-49-48(31-40)43-26-24-41(32-50(43)53-49)38-19-18-33-10-4-5-13-35(33)28-38/h1-32H/i1D,2D,3D,6D,7D,8D,9D,11D,12D,14D,15D,16D,17D,20D,21D,22D,23D,29D,30D
• InChIKey: ZNFPHOHAKFCTOQ-XJVNNMDQSA-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 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran?

The IUPAC name of 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran (CID 167406941) is 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran.

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

The canonical SMILES for 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c(-c5ccc6oc7cc(-c8ccc9ccccc9c8)ccc7c6c5)c([2H])c([2H])c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].

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

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

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

2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-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 2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran is sourced from PubChem (CID 167406941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).