2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran

C38H24O — CID 171420721

About 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran

2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran (PubChem CID 171420721) has the molecular formula C38H24O and a molecular weight of 508.68 g/mol. Its IUPAC name is 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran
• PubChem CID: 171420721
• Molecular Formula: C38H24O
• Molecular Weight: 508.68 g/mol
• Exact Mass: 508.26
• IUPAC Name: 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3)c3c([2H])c([2H])c(-c4ccccc4)c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/C38H24O/c1-3-11-25(12-4-1)27-19-21-32-34(23-27)37(26-13-5-2-6-14-26)30-16-7-8-17-31(30)38(32)28-20-22-36-33(24-28)29-15-9-10-18-35(29)39-36/h1-24H/i2D,5D,6D,7D,8D,13D,14D,16D,17D,19D,21D,23D
• InChIKey: QFPMUMYQFJHVKR-PBWOSCAFSA-N
• XLogP: 10.89
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.68
LogP ≤ 5	10.89
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-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran?

The IUPAC name of 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran (CID 171420721) is 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran.

What is the SMILES notation for 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran?

The canonical SMILES for 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3)c3c([2H])c([2H])c(-c4ccccc4)c([2H])c23)c([2H])c1[2H].

What is the InChIKey of 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran?

The InChIKey is QFPMUMYQFJHVKR-PBWOSCAFSA-N. The full InChI is InChI=1S/C38H24O/c1-3-11-25(12-4-1)27-19-21-32-34(23-27)37(26-13-5-2-6-14-26)30-16-7-8-17-31(30)38(32)28-20-22-36-33(24-28)29-15-9-10-18-35(29)39-36/h1-24H/i2D,5D,6D,7D,8D,13D,14D,16D,17D,19D,21D,23D.

What are the key properties of 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran?

2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran has a molecular weight of 508.68 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 171420721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).