8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C40H24O — CID 153473930

About 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 153473930) has the molecular formula C40H24O and a molecular weight of 528.68 g/mol. Its IUPAC name is 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• PubChem CID: 153473930
• Molecular Formula: C40H24O
• Molecular Weight: 528.68 g/mol
• Exact Mass: 528.23
• IUPAC Name: 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H]
• InChI: InChI=1S/C40H24O/c1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-23-37-36(24-27)35-22-20-26-11-2-4-14-29(26)40(35)41-37/h1-24H/i5D,6D,7D,8D,15D,16D,17D,18D
• InChIKey: JMETUNGBZJFPFN-IQXBNGSTSA-N
• XLogP: 11.53
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.68
LogP ≤ 5	11.53
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 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 153473930) is 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H].

What is the InChIKey of 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The InChIKey is JMETUNGBZJFPFN-IQXBNGSTSA-N. The full InChI is InChI=1S/C40H24O/c1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-23-37-36(24-27)35-22-20-26-11-2-4-14-29(26)40(35)41-37/h1-24H/i5D,6D,7D,8D,15D,16D,17D,18D.

What are the key properties of 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 528.68 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 153473930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).