4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

C84H50O2 — CID 166928345

About 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran

4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 166928345) has the molecular formula C84H50O2 and a molecular weight of 1091.32 g/mol. Its IUPAC name is 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
• PubChem CID: 166928345
• Molecular Formula: C84H50O2
• Molecular Weight: 1091.32 g/mol
• Exact Mass: 1090.38
• IUPAC Name: 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5cc(-c6ccc(-c7c8ccccc8c(-c8ccc9oc%10c(-c%11cccc%12ccccc%11%12)cccc%10c9c8)c8ccccc78)cc6)ccc45)c4oc5ccccc5c4c3)c3ccccc23)cc1
• InChI: InChI=1S/C84H50O2/c1-2-20-53(21-3-1)79-66-28-8-12-32-70(66)82(71-33-13-9-29-67(71)79)58-49-75(84-76(50-58)63-25-14-15-38-77(63)85-84)62-35-17-23-56-47-55(43-45-60(56)62)51-39-41-54(42-40-51)80-64-26-6-10-30-68(64)81(69-31-11-7-27-65(69)80)57-44-46-78-74(48-57)73-37-18-36-72(83(73)86-78)61-34-16-22-52-19-4-5-24-59(52)61/h1-50H
• InChIKey: UHYVAOXEIDBTOQ-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.32
LogP ≤ 5	24.07
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 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?

The IUPAC name of 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran (CID 166928345) is 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5cc(-c6ccc(-c7c8ccccc8c(-c8ccc9oc%10c(-c%11cccc%12ccccc%11%12)cccc%10c9c8)c8ccccc78)cc6)ccc45)c4oc5ccccc5c4c3)c3ccccc23)cc1.

What is the InChIKey of 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?

The InChIKey is UHYVAOXEIDBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50O2/c1-2-20-53(21-3-1)79-66-28-8-12-32-70(66)82(71-33-13-9-29-67(71)79)58-49-75(84-76(50-58)63-25-14-15-38-77(63)85-84)62-35-17-23-56-47-55(43-45-60(56)62)51-39-41-54(42-40-51)80-64-26-6-10-30-68(64)81(69-31-11-7-27-65(69)80)57-44-46-78-74(48-57)73-37-18-36-72(83(73)86-78)61-34-16-22-52-19-4-5-24-59(52)61/h1-50H.

What are the key properties of 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran?

4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 1091.32 g/mol, XLogP of 24.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 166928345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).