1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran

C94H58O2 — CID 159959766

About 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran

1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (PubChem CID 159959766) has the molecular formula C94H58O2 and a molecular weight of 1229.56 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• PubChem CID: 159959766
• Molecular Formula: C94H58O2
• Molecular Weight: 1229.56 g/mol
• Exact Mass: 1228.51
• IUPAC Name: 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4)cc4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4-c4ccc5ccccc5c4)cc4ccccc34)c3ccccc23)c([2H])c1[2H]
• InChI: InChI=1S/C52H32O.C42H26O/c1-2-15-34(16-3-1)49-41-20-8-10-22-43(41)51(44-23-11-9-21-42(44)49)46-32-38(31-36-18-6-7-19-39(36)46)40-28-29-48-52(45-24-12-13-25-47(45)53-48)50(40)37-27-26-33-14-4-5-17-35(33)30-37;1-2-12-27(13-3-1)41-33-17-6-8-19-35(33)42(36-20-9-7-18-34(36)41)38-26-30(24-29-14-4-5-15-31(29)38)28-22-23-40-37(25-28)32-16-10-11-21-39(32)43-40/h1-32H;1-26H/i1D,2D,3D,15D,16D;1D,2D,3D,12D,13D
• InChIKey: ODEHYMFJFMGOLD-KSOFZVDYSA-N
• XLogP: 26.91
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.56
LogP ≤ 5	26.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The IUPAC name of 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran (CID 159959766) is 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran.

What is the SMILES notation for 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The canonical SMILES for 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4)cc4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4-c4ccc5ccccc5c4)cc4ccccc34)c3ccccc23)c([2H])c1[2H].

What is the InChIKey of 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

The InChIKey is ODEHYMFJFMGOLD-KSOFZVDYSA-N. The full InChI is InChI=1S/C52H32O.C42H26O/c1-2-15-34(16-3-1)49-41-20-8-10-22-43(41)51(44-23-11-9-21-42(44)49)46-32-38(31-36-18-6-7-19-39(36)46)40-28-29-48-52(45-24-12-13-25-47(45)53-48)50(40)37-27-26-33-14-4-5-17-35(33)30-37;1-2-12-27(13-3-1)41-33-17-6-8-19-35(33)42(36-20-9-7-18-34(36)41)38-26-30(24-29-14-4-5-15-31(29)38)28-22-23-40-37(25-28)32-16-10-11-21-39(32)43-40/h1-32H;1-26H/i1D,2D,3D,15D,16D;1D,2D,3D,12D,13D.

What are the key properties of 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran?

1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran has a molecular weight of 1229.56 g/mol, XLogP of 26.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 159959766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).