1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran

C70H42O — CID 170448028

About 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran

1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran (PubChem CID 170448028) has the molecular formula C70H42O and a molecular weight of 899.11 g/mol. Its IUPAC name is 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
• PubChem CID: 170448028
• Molecular Formula: C70H42O
• Molecular Weight: 899.11 g/mol
• Exact Mass: 898.32
• IUPAC Name: 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4cccc5ccc(-c6ccc7cccc(-c8c9ccccc9c(-c9cccc%10oc%11ccccc%11c9%10)c9ccccc89)c7c6)cc45)c4ccccc34)cccc2c1
• InChI: InChI=1S/C70H42O/c1-2-21-48-43(17-1)18-13-31-49(48)66-50-22-3-5-24-52(50)67(53-25-6-4-23-51(53)66)58-32-14-19-44-37-39-46(41-62(44)58)47-40-38-45-20-15-33-59(63(45)42-47)68-54-26-7-9-28-56(54)69(57-29-10-8-27-55(57)68)61-34-16-36-65-70(61)60-30-11-12-35-64(60)71-65/h1-42H
• InChIKey: ICEPTAQEYFGNFB-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 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran (CID 170448028) is 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccc(-c6ccc7cccc(-c8c9ccccc9c(-c9cccc%10oc%11ccccc%11c9%10)c9ccccc89)c7c6)cc45)c4ccccc34)cccc2c1.

What is the InChIKey of 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran?

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

What are the key properties of 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran?

1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-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 1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170448028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).