ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane

C55H50OSi — CID 147188972

About ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane

ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane (PubChem CID 147188972) has the molecular formula C55H50OSi and a molecular weight of 755.09 g/mol. Its IUPAC name is ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane.

Molecular Properties

• Compound Name: ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane
• PubChem CID: 147188972
• Molecular Formula: C55H50OSi
• Molecular Weight: 755.09 g/mol
• Exact Mass: 754.36
• IUPAC Name: ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc([Si](c5ccccc5)(C(C)(C)C)C(C)(C)C)c5oc6ccccc6c5c4)c4ccccc34)cc21
• InChI: InChI=1S/C55H50OSi/c1-53(2,3)57(54(4,5)6,37-20-10-9-11-21-37)49-34-36(32-45-40-23-17-19-29-48(40)56-52(45)49)51-43-26-14-12-24-41(43)50(42-25-13-15-27-44(42)51)35-30-31-39-38-22-16-18-28-46(38)55(7,8)47(39)33-35/h9-34H,1-8H3
• InChIKey: CBBHBKOOCINQML-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.09
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane?

The IUPAC name of ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane (CID 147188972) is ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane.

What is the SMILES notation for ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane?

The canonical SMILES for ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc([Si](c5ccccc5)(C(C)(C)C)C(C)(C)C)c5oc6ccccc6c5c4)c4ccccc34)cc21.

What is the InChIKey of ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane?

The InChIKey is CBBHBKOOCINQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50OSi/c1-53(2,3)57(54(4,5)6,37-20-10-9-11-21-37)49-34-36(32-45-40-23-17-19-29-48(40)56-52(45)49)51-43-26-14-12-24-41(43)50(42-25-13-15-27-44(42)51)35-30-31-39-38-22-16-18-28-46(38)55(7,8)47(39)33-35/h9-34H,1-8H3.

What are the key properties of ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane?

ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane has a molecular weight of 755.09 g/mol, XLogP of 14.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran-4-yl]-phenylsilane is sourced from PubChem (CID 147188972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).