2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

C70H42O — CID 170448218

About 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (PubChem CID 170448218) has the molecular formula C70H42O and a molecular weight of 899.11 g/mol. Its IUPAC name is 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• PubChem CID: 170448218
• Molecular Formula: C70H42O
• Molecular Weight: 899.11 g/mol
• Exact Mass: 898.32
• IUPAC Name: 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7ccc(-c8c9ccccc9c(-c9ccc%10oc%11ccccc%11c%10c9)c9ccccc89)cc7c6)cc5c4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C70H42O/c1-2-16-53-45(14-1)15-13-26-55(53)70-62-24-9-7-22-60(62)68(61-23-8-10-25-63(61)70)49-35-31-44-29-33-47(39-52(44)41-49)46-32-28-43-30-34-48(40-51(43)38-46)67-56-18-3-5-20-58(56)69(59-21-6-4-19-57(59)67)50-36-37-66-64(42-50)54-17-11-12-27-65(54)71-66/h1-42H
• InChIKey: HTZZIYSLVMGLOR-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.11
LogP ≤ 5	19.99
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 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (CID 170448218) is 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7ccc(-c8c9ccccc9c(-c9ccc%10oc%11ccccc%11c%10c9)c9ccccc89)cc7c6)cc5c4)c4ccccc34)cccc2c1.

What is the InChIKey of 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The InChIKey is HTZZIYSLVMGLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42O/c1-2-16-53-45(14-1)15-13-26-55(53)70-62-24-9-7-22-60(62)68(61-23-8-10-25-63(61)70)49-35-31-44-29-33-47(39-52(44)41-49)46-32-28-43-30-34-48(40-51(43)38-46)67-56-18-3-5-20-58(56)69(59-21-6-4-19-57(59)67)50-36-37-66-64(42-50)54-17-11-12-27-65(54)71-66/h1-42H.

What are the key properties of 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 899.11 g/mol, XLogP of 19.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170448218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).