2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran

C58H36O2 — CID 155203864

About 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran

2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 155203864) has the molecular formula C58H36O2 and a molecular weight of 764.92 g/mol. Its IUPAC name is 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 155203864
• Molecular Formula: C58H36O2
• Molecular Weight: 764.92 g/mol
• Exact Mass: 764.27
• IUPAC Name: 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: C1=CC2=Cc3c(oc4cccc(-c5cccc(-c6c7ccccc7c(-c7cccc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)c7)c7ccccc67)c5)c34)CC2C=C1
• InChI: InChI=1S/C58H36O2/c1-3-14-38-33-54-50(30-36(38)12-1)49-31-40(26-27-52(49)59-54)35-16-9-18-42(28-35)56-45-20-5-7-22-47(45)57(48-23-8-6-21-46(48)56)43-19-10-17-41(29-43)44-24-11-25-53-58(44)51-32-37-13-2-4-15-39(37)34-55(51)60-53/h1-33,39H,34H2
• InChIKey: JCDXIGBOJMEWTF-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.92
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran (CID 155203864) is 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran is C1=CC2=Cc3c(oc4cccc(-c5cccc(-c6c7ccccc7c(-c7cccc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)c7)c7ccccc67)c5)c34)CC2C=C1.

What is the InChIKey of 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran?

The InChIKey is JCDXIGBOJMEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36O2/c1-3-14-38-33-54-50(30-36(38)12-1)49-31-40(26-27-52(49)59-54)35-16-9-18-42(28-35)56-45-20-5-7-22-47(45)57(48-23-8-6-21-46(48)56)43-19-10-17-41(29-43)44-24-11-25-53-58(44)51-32-37-13-2-4-15-39(37)34-55(51)60-53/h1-33,39H,34H2.

What are the key properties of 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran?

2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 764.92 g/mol, XLogP of 16.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155203864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).