1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran

C63H38O2 — CID 155333308

About 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran

1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155333308) has the molecular formula C63H38O2 and a molecular weight of 827.00 g/mol. Its IUPAC name is 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
• PubChem CID: 155333308
• Molecular Formula: C63H38O2
• Molecular Weight: 827.00 g/mol
• Exact Mass: 826.29
• IUPAC Name: 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5cccc(-c6cccc7oc8ccccc8c67)c5cc5c(-c6cccc7oc8ccccc8c67)cccc45)cc32)cc1
• InChI: InChI=1S/C63H38O2/c1-3-17-40(18-4-1)63(41-19-5-2-6-20-41)54-30-10-7-21-44(54)45-36-35-39(37-55(45)63)60-48-26-13-24-42(46-28-15-33-58-61(46)50-22-8-11-31-56(50)64-58)52(48)38-53-43(25-14-27-49(53)60)47-29-16-34-59-62(47)51-23-9-12-32-57(51)65-59/h1-38H
• InChIKey: BDIQCYXTQMVIDV-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 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran?

The IUPAC name of 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran (CID 155333308) is 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran.

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

The canonical SMILES for 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5cccc(-c6cccc7oc8ccccc8c67)c5cc5c(-c6cccc7oc8ccccc8c67)cccc45)cc32)cc1.

What is the InChIKey of 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran?

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

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

1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-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 1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155333308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).