2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran

C38H24O — CID 170521710

About 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran

2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 170521710) has the molecular formula C38H24O and a molecular weight of 501.64 g/mol. Its IUPAC name is 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 170521710
• Molecular Formula: C38H24O
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.21
• IUPAC Name: 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccccc2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c([2H])c1[2H]
• InChI: InChI=1S/C38H24O/c1-2-10-25(11-3-1)29-14-6-7-15-31(29)34-20-19-30(32-16-8-9-17-33(32)34)28-18-21-37-35(23-28)36-22-26-12-4-5-13-27(26)24-38(36)39-37/h1-24H/i1D,2D,3D,10D,11D
• InChIKey: GCQMNYSOZLSICJ-PDNVFQDQSA-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	501.64
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran (CID 170521710) is 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c([2H])c(-c2ccccc2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)c([2H])c1[2H].

What is the InChIKey of 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is GCQMNYSOZLSICJ-PDNVFQDQSA-N. The full InChI is InChI=1S/C38H24O/c1-2-10-25(11-3-1)29-14-6-7-15-31(29)34-20-19-30(32-16-8-9-17-33(32)34)28-18-21-37-35(23-28)36-22-26-12-4-5-13-27(26)24-38(36)39-37/h1-24H/i1D,2D,3D,10D,11D.

What are the key properties of 2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran?

2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 501.64 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-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 170521710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).