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

C40H24O — CID 170653826

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

1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 170653826) has the molecular formula C40H24O and a molecular weight of 526.67 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• PubChem CID: 170653826
• Molecular Formula: C40H24O
• Molecular Weight: 526.67 g/mol
• Exact Mass: 526.22
• IUPAC Name: 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3oc21
• InChI: InChI=1S/C40H24O/c1-2-11-27-23-28(18-17-25(27)9-1)38-31-13-5-7-15-33(31)39(34-16-8-6-14-32(34)38)29-20-22-37-36(24-29)35-21-19-26-10-3-4-12-30(26)40(35)41-37/h1-24H/i3D,4D,10D,12D,19D,21D
• InChIKey: JUEAGDKCHRAXQG-MXAREOQNSA-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	526.67
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 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The IUPAC name of 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 170653826) is 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3oc21.

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

The InChIKey is JUEAGDKCHRAXQG-MXAREOQNSA-N. The full InChI is InChI=1S/C40H24O/c1-2-11-27-23-28(18-17-25(27)9-1)38-31-13-5-7-15-33(31)39(34-16-8-6-14-32(34)38)29-20-22-37-36(24-29)35-21-19-26-10-3-4-12-30(26)40(35)41-37/h1-24H/i3D,4D,10D,12D,19D,21D.

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

1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 526.67 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 1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170653826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).