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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran

C50H34O — CID 167419524

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran (PubChem CID 167419524) has the molecular formula C50H34O and a molecular weight of 669.94 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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran.

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran
• PubChem CID: 167419524
• Molecular Formula: C50H34O
• Molecular Weight: 669.94 g/mol
• Exact Mass: 669.38
• 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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(Cc2c3c([2H])c([2H])c([2H])c([2H])c3c(Cc3c([2H])c([2H])c(-c4cccc5c4oc4c(-c6ccccc6)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/C50H34O/c1-3-15-33(16-4-1)31-47-39-21-9-11-23-41(39)48(42-24-12-10-22-40(42)47)32-35-29-30-43(38-20-8-7-19-36(35)38)44-26-14-28-46-45-27-13-25-37(49(45)51-50(44)46)34-17-5-2-6-18-34/h1-30H,31-32H2/i1D,3D,4D,7D,8D,9D,10D,11D,12D,15D,16D,19D,20D,21D,22D,23D,24D,29D,30D
• InChIKey: DXJCLRQTUFWBGQ-BLBMUQGHSA-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 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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran?

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran (CID 167419524) 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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran.

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran?

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran is [2H]c1c([2H])c([2H])c(Cc2c3c([2H])c([2H])c([2H])c([2H])c3c(Cc3c([2H])c([2H])c(-c4cccc5c4oc4c(-c6ccccc6)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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran?

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

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran?

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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-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 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)methyl]anthracen-9-yl]methyl]naphthalen-1-yl]-6-phenyldibenzofuran is sourced from PubChem (CID 167419524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).