6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran

C59H44O — CID 169295228

About 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran

6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (PubChem CID 169295228) has the molecular formula C59H44O and a molecular weight of 769.00 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 169295228
• Molecular Formula: C59H44O
• Molecular Weight: 769.00 g/mol
• Exact Mass: 768.34
• IUPAC Name: 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cccc(C(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c34)cc21
• InChI: InChI=1S/C59H44O/c1-58(2)49-22-12-10-19-43(49)45-31-29-40(34-51(45)58)54(38-27-25-37(26-28-38)36-15-6-5-7-16-36)47-21-14-24-53-56(47)48-33-39-17-8-9-18-42(39)55(57(48)60-53)41-30-32-46-44-20-11-13-23-50(44)59(3,4)52(46)35-41/h5-35,54H,1-4H3
• InChIKey: CWDCFMWECPAABW-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.00
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (CID 169295228) is 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cccc(C(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c34)cc21.

What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

The InChIKey is CWDCFMWECPAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44O/c1-58(2)49-22-12-10-19-43(49)45-31-29-40(34-51(45)58)54(38-27-25-37(26-28-38)36-15-6-5-7-16-36)47-21-14-24-53-56(47)48-33-39-17-8-9-18-42(39)55(57(48)60-53)41-30-32-46-44-20-11-13-23-50(44)59(3,4)52(46)35-41/h5-35,54H,1-4H3.

What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 769.00 g/mol, XLogP of 15.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 169295228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).