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

C50H34O — CID 167419295

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

7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran (PubChem CID 167419295) has the molecular formula C50H34O and a molecular weight of 669.94 g/mol. Its IUPAC name is 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran.

Molecular Properties

• Compound Name: 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran
• PubChem CID: 167419295
• Molecular Formula: C50H34O
• Molecular Weight: 669.94 g/mol
• Exact Mass: 669.38
• IUPAC Name: 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(Cc2c3c([2H])c([2H])c([2H])c([2H])c3c(Cc3c([2H])c([2H])c(-c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)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/C50H34O/c1-3-13-33(14-4-1)29-46-41-19-9-11-21-43(41)47(44-22-12-10-20-42(44)46)31-36-23-26-39(40-18-8-7-17-38(36)40)37-24-27-45-48-30-35(34-15-5-2-6-16-34)25-28-49(48)51-50(45)32-37/h1-28,30,32H,29,31H2/i1D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,17D,18D,19D,20D,21D,22D,23D,26D
• InChIKey: QLGHCFZAJVMDRY-SKDASQCRSA-N
• XLogP: 13.56
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.94
LogP ≤ 5	13.56
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 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran?

The IUPAC name of 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran (CID 167419295) is 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran.

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

The canonical SMILES for 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran is [2H]c1c([2H])c([2H])c(Cc2c3c([2H])c([2H])c([2H])c([2H])c3c(Cc3c([2H])c([2H])c(-c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)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 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran?

The InChIKey is QLGHCFZAJVMDRY-SKDASQCRSA-N. The full InChI is InChI=1S/C50H34O/c1-3-13-33(14-4-1)29-46-41-19-9-11-21-43(41)47(44-22-12-10-20-42(44)46)31-36-23-26-39(40-18-8-7-17-38(36)40)37-24-27-45-48-30-35(34-15-5-2-6-16-34)25-28-49(48)51-50(45)32-37/h1-28,30,32H,29,31H2/i1D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,17D,18D,19D,20D,21D,22D,23D,26D.

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

7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran has a molecular weight of 669.94 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2,3,5,6,7,8-hexadeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-2-phenyldibenzofuran is sourced from PubChem (CID 167419295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).