2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan

C50H32O2Se — CID 161037729

About 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan

2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan (PubChem CID 161037729) has the molecular formula C50H32O2Se and a molecular weight of 743.76 g/mol. Its IUPAC name is 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan.

Molecular Properties

• Compound Name: 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
• PubChem CID: 161037729
• Molecular Formula: C50H32O2Se
• Molecular Weight: 743.76 g/mol
• Exact Mass: 744.16
• IUPAC Name: 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6ccc(C)o6)c6ccccc56)c34)c3ccccc23)o1
• InChI: InChI=1S/C50H32O2Se/c1-29-22-26-42(51-29)48-36-16-7-3-12-32(36)46(33-13-4-8-17-37(33)48)31-24-25-40-45(28-31)53-44-21-11-20-41(50(40)44)47-34-14-5-9-18-38(34)49(43-27-23-30(2)52-43)39-19-10-6-15-35(39)47/h3-28H,1-2H3
• InChIKey: HCZVADGNYOQOTE-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.76
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan?

The IUPAC name of 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan (CID 161037729) is 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan.

What is the SMILES notation for 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan?

The canonical SMILES for 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6ccc(C)o6)c6ccccc56)c34)c3ccccc23)o1.

What is the InChIKey of 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan?

The InChIKey is HCZVADGNYOQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O2Se/c1-29-22-26-42(51-29)48-36-16-7-3-12-32(36)46(33-13-4-8-17-37(33)48)31-24-25-40-45(28-31)53-44-21-11-20-41(50(40)44)47-34-14-5-9-18-38(34)49(43-27-23-30(2)52-43)39-19-10-6-15-35(39)47/h3-28H,1-2H3.

What are the key properties of 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan?

2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan has a molecular weight of 743.76 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan is sourced from PubChem (CID 161037729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).