3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran

C63H38O2 — CID 155333707

About 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran

3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155333707) has the molecular formula C63H38O2 and a molecular weight of 827.00 g/mol. Its IUPAC name is 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
• PubChem CID: 155333707
• Molecular Formula: C63H38O2
• Molecular Weight: 827.00 g/mol
• Exact Mass: 826.29
• IUPAC Name: 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7c(c6)oc6ccccc67)c5cc5c(-c6ccc7c(c6)oc6ccccc67)cccc45)c32)cc1
• InChI: InChI=1S/C63H38O2/c1-3-16-41(17-4-1)63(42-18-5-2-6-19-42)56-29-10-7-20-45(56)52-27-15-28-53(62(52)63)61-50-25-13-23-43(39-32-34-48-46-21-8-11-30-57(46)64-59(48)36-39)54(50)38-55-44(24-14-26-51(55)61)40-33-35-49-47-22-9-12-31-58(47)65-60(49)37-40/h1-38H
• InChIKey: NVKFEBQLFDYWNK-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.00
LogP ≤ 5	17.16
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 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?

The IUPAC name of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran (CID 155333707) is 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran.

What is the SMILES notation for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?

The canonical SMILES for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran is c1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7c(c6)oc6ccccc67)c5cc5c(-c6ccc7c(c6)oc6ccccc67)cccc45)c32)cc1.

What is the InChIKey of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?

The InChIKey is NVKFEBQLFDYWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38O2/c1-3-16-41(17-4-1)63(42-18-5-2-6-19-42)56-29-10-7-20-45(56)52-27-15-28-53(62(52)63)61-50-25-13-23-43(39-32-34-48-46-21-8-11-30-57(46)64-59(48)36-39)54(50)38-55-44(24-14-26-51(55)61)40-33-35-49-47-22-9-12-31-58(47)65-60(49)37-40/h1-38H.

What are the key properties of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?

3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 827.00 g/mol, XLogP of 17.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155333707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).