4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran

C50H28O3 — CID 176745582

About 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran

4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran (PubChem CID 176745582) has the molecular formula C50H28O3 and a molecular weight of 676.77 g/mol. Its IUPAC name is 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran.

Molecular Properties

• Compound Name: 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran
• PubChem CID: 176745582
• Molecular Formula: C50H28O3
• Molecular Weight: 676.77 g/mol
• Exact Mass: 676.20
• IUPAC Name: 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran
• SMILES: c1ccc2c(-c3coc4c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc5oc6ccccc6c5c34)cccc2c1
• InChI: InChI=1S/C50H28O3/c1-2-14-31-29(12-1)13-11-21-32(31)41-28-51-50-40(27-45-48(49(41)50)38-20-8-10-23-43(38)53-45)47-36-18-5-3-16-34(36)46(35-17-4-6-19-37(35)47)30-24-25-44-39(26-30)33-15-7-9-22-42(33)52-44/h1-28H
• InChIKey: DWKJVCBJOZQFGV-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.77
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran?

The IUPAC name of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran (CID 176745582) is 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran.

What is the SMILES notation for 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran?

The canonical SMILES for 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran is c1ccc2c(-c3coc4c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc5oc6ccccc6c5c34)cccc2c1.

What is the InChIKey of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran?

The InChIKey is DWKJVCBJOZQFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28O3/c1-2-14-31-29(12-1)13-11-21-32(31)41-28-51-50-40(27-45-48(49(41)50)38-20-8-10-23-43(38)53-45)47-36-18-5-3-16-34(36)46(35-17-4-6-19-37(35)47)30-24-25-44-39(26-30)33-15-7-9-22-42(33)52-44/h1-28H.

What are the key properties of 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran?

4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran has a molecular weight of 676.77 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 176745582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).