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

C69H48O — CID 169295503

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

6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (PubChem CID 169295503) has the molecular formula C69H48O and a molecular weight of 893.14 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 169295503
• Molecular Formula: C69H48O
• Molecular Weight: 893.14 g/mol
• Exact Mass: 892.37
• IUPAC Name: 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cccc(C(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c34)cc21
• InChI: InChI=1S/C69H48O/c1-68(2)59-30-16-14-27-53(59)55-39-38-49(42-61(55)68)65-52-26-13-12-21-47(52)41-58-66-57(29-18-32-63(66)70-67(58)65)64(46-35-33-45(34-36-46)44-19-6-3-7-20-44)48-37-40-56-54-28-15-17-31-60(54)69(62(56)43-48,50-22-8-4-9-23-50)51-24-10-5-11-25-51/h3-43,64H,1-2H3
• InChIKey: OCXDEBYKUXCEFC-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.14
LogP ≤ 5	17.92
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-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran (CID 169295503) is 6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-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-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran?

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

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

The InChIKey is OCXDEBYKUXCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48O/c1-68(2)59-30-16-14-27-53(59)55-39-38-49(42-61(55)68)65-52-26-13-12-21-47(52)41-58-66-57(29-18-32-63(66)70-67(58)65)64(46-35-33-45(34-36-46)44-19-6-3-7-20-44)48-37-40-56-54-28-15-17-31-60(54)69(62(56)43-48,50-22-8-4-9-23-50)51-24-10-5-11-25-51/h3-43,64H,1-2H3.

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

6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 893.14 g/mol, XLogP of 17.92, 7 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-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 169295503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).