1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran

C49H44O — CID 167347240

About 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran

1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran (PubChem CID 167347240) has the molecular formula C49H44O and a molecular weight of 648.89 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
• PubChem CID: 167347240
• Molecular Formula: C49H44O
• Molecular Weight: 648.89 g/mol
• Exact Mass: 648.34
• IUPAC Name: 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
• SMILES: Cc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1C
• InChI: InChI=1S/C49H44O/c1-25-27(3)31(7)44-42(29(25)5)46(33-22-23-35-34-16-11-13-19-38(34)49(9,10)39(35)24-33)43-30(6)26(2)28(4)32(8)45(43)48(44)37-18-15-21-41-47(37)36-17-12-14-20-40(36)50-41/h11-24H,1-10H3
• InChIKey: JQFAYHDGZHFKAW-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.89
LogP ≤ 5	14.00
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-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?

The IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran (CID 167347240) is 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran.

What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?

The canonical SMILES for 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran is Cc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1C.

What is the InChIKey of 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?

The InChIKey is JQFAYHDGZHFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O/c1-25-27(3)31(7)44-42(29(25)5)46(33-22-23-35-34-16-11-13-19-38(34)49(9,10)39(35)24-33)43-30(6)26(2)28(4)32(8)45(43)48(44)37-18-15-21-41-47(37)36-17-12-14-20-40(36)50-41/h11-24H,1-10H3.

What are the key properties of 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?

1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran has a molecular weight of 648.89 g/mol, XLogP of 14.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167347240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).