[2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane

C49H58O2Si — CID 67207081

About [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane

[2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane (PubChem CID 67207081) has the molecular formula C49H58O2Si and a molecular weight of 707.09 g/mol. Its IUPAC name is [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane.

Molecular Properties

• Compound Name: [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane
• PubChem CID: 67207081
• Molecular Formula: C49H58O2Si
• Molecular Weight: 707.09 g/mol
• Exact Mass: 706.42
• IUPAC Name: [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane
• SMILES: C=CCOc1c(C(C)(C)C)cc(OC)cc1[Si](C)(C)C1c2cc(-c3ccccc3CCCC)ccc2-c2ccc(-c3ccccc3CCCC)cc21
• InChI: InChI=1S/C49H58O2Si/c1-10-13-19-34-21-15-17-23-39(34)36-25-27-41-42-28-26-37(40-24-18-16-22-35(40)20-14-11-2)31-44(42)48(43(41)30-36)52(8,9)46-33-38(50-7)32-45(49(4,5)6)47(46)51-29-12-3/h12,15-18,21-28,30-33,48H,3,10-11,13-14,19-20,29H2,1-2,4-9H3
• InChIKey: MVJKFCOMGVXHEV-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.09
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane?

The IUPAC name of [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane (CID 67207081) is [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane.

What is the SMILES notation for [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane?

The canonical SMILES for [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane is C=CCOc1c(C(C)(C)C)cc(OC)cc1[Si](C)(C)C1c2cc(-c3ccccc3CCCC)ccc2-c2ccc(-c3ccccc3CCCC)cc21.

What is the InChIKey of [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane?

The InChIKey is MVJKFCOMGVXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58O2Si/c1-10-13-19-34-21-15-17-23-39(34)36-25-27-41-42-28-26-37(40-24-18-16-22-35(40)20-14-11-2)31-44(42)48(43(41)30-36)52(8,9)46-33-38(50-7)32-45(49(4,5)6)47(46)51-29-12-3/h12,15-18,21-28,30-33,48H,3,10-11,13-14,19-20,29H2,1-2,4-9H3.

What are the key properties of [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane?

[2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane has a molecular weight of 707.09 g/mol, XLogP of 12.84, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane is sourced from PubChem (CID 67207081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).