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

C57H40O — CID 169295476

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

6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (PubChem CID 169295476) has the molecular formula C57H40O and a molecular weight of 740.95 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 169295476
• Molecular Formula: C57H40O
• Molecular Weight: 740.95 g/mol
• Exact Mass: 740.31
• IUPAC Name: 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cccc(C(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c34)cc21
• InChI: InChI=1S/C57H40O/c1-57(2)50-24-11-10-20-44(50)45-31-30-40(34-51(45)57)54-42-19-9-7-17-39(42)33-49-55-47(23-13-25-52(55)58-56(49)54)53(37-28-26-36(27-29-37)35-14-4-3-5-15-35)46-22-12-21-43-41-18-8-6-16-38(41)32-48(43)46/h3-31,33-34,53H,32H2,1-2H3
• InChIKey: HGCYXMBCYPSXHB-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.95
LogP ≤ 5	15.13
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-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (CID 169295476) is 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cccc(C(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c34)cc21.

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

The InChIKey is HGCYXMBCYPSXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40O/c1-57(2)50-24-11-10-20-44(50)45-31-30-40(34-51(45)57)54-42-19-9-7-17-39(42)33-49-55-47(23-13-25-52(55)58-56(49)54)53(37-28-26-36(27-29-37)35-14-4-3-5-15-35)46-22-12-21-43-41-18-8-6-16-38(41)32-48(43)46/h3-31,33-34,53H,32H2,1-2H3.

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

6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 740.95 g/mol, XLogP of 15.13, 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-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 169295476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).