2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran

C78H46O2 — CID 172546696

About 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran

2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 172546696) has the molecular formula C78H46O2 and a molecular weight of 1015.22 g/mol. Its IUPAC name is 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
• PubChem CID: 172546696
• Molecular Formula: C78H46O2
• Molecular Weight: 1015.22 g/mol
• Exact Mass: 1014.35
• IUPAC Name: 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
• SMILES: c1cc(-c2cccc3cc(-c4ccc5c(-c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)c7ccccc67)cccc5c4)ccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1
• InChI: InChI=1S/C78H46O2/c1-3-24-63-61(22-1)75(62-23-2-4-25-64(62)76(63)53-36-40-73-69(45-53)58-20-9-11-32-71(58)79-73)52-19-13-16-51(44-52)55-30-14-17-49-42-47(34-38-56(49)55)48-35-39-57-50(43-48)18-15-31-60(57)78-67-28-7-5-26-65(67)77(66-27-6-8-29-68(66)78)54-37-41-74-70(46-54)59-21-10-12-33-72(59)80-74/h1-46H
• InChIKey: DPRAHYAECNUWDK-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.22
LogP ≤ 5	22.41
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-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran (CID 172546696) is 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran is c1cc(-c2cccc3cc(-c4ccc5c(-c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)c7ccccc67)cccc5c4)ccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.

What is the InChIKey of 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

The InChIKey is DPRAHYAECNUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46O2/c1-3-24-63-61(22-1)75(62-23-2-4-25-64(62)76(63)53-36-40-73-69(45-53)58-20-9-11-32-71(58)79-73)52-19-13-16-51(44-52)55-30-14-17-49-42-47(34-38-56(49)55)48-35-39-57-50(43-48)18-15-31-60(57)78-67-28-7-5-26-65(67)77(66-27-6-8-29-68(66)78)54-37-41-74-70(46-54)59-21-10-12-33-72(59)80-74/h1-46H.

What are the key properties of 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran?

2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 1015.22 g/mol, XLogP of 22.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 172546696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).