3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

C76H54F2N2OSi — CID 140845214

About 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (PubChem CID 140845214) has the molecular formula C76H54F2N2OSi and a molecular weight of 1077.36 g/mol. Its IUPAC name is 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
• PubChem CID: 140845214
• Molecular Formula: C76H54F2N2OSi
• Molecular Weight: 1077.36 g/mol
• Exact Mass: 1076.40
• IUPAC Name: 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
• SMILES: C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc3c21
• InChI: InChI=1S/C76H54F2N2OSi/c1-82(2)72-44-42-59(79(69-39-23-21-37-61(69)53-29-13-5-14-30-53)73-64(55-33-17-7-18-34-55)45-57(47-67(73)77)51-25-9-3-10-26-51)49-66(72)75-76(82)63-43-41-60(50-71(63)81-75)80(70-40-24-22-38-62(70)54-31-15-6-16-32-54)74-65(56-35-19-8-20-36-56)46-58(48-68(74)78)52-27-11-4-12-28-52/h3-50H,1-2H3
• InChIKey: SWDABPJXEUHGIQ-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.36
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?

The IUPAC name of 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (CID 140845214) is 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.

What is the SMILES notation for 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?

The canonical SMILES for 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc3c21.

What is the InChIKey of 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?

The InChIKey is SWDABPJXEUHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54F2N2OSi/c1-82(2)72-44-42-59(79(69-39-23-21-37-61(69)53-29-13-5-14-30-53)73-64(55-33-17-7-18-34-55)45-57(47-67(73)77)51-25-9-3-10-26-51)49-66(72)75-76(82)63-43-41-60(50-71(63)81-75)80(70-40-24-22-38-62(70)54-31-15-6-16-32-54)74-65(56-35-19-8-20-36-56)46-58(48-68(74)78)52-27-11-4-12-28-52/h3-50H,1-2H3.

What are the key properties of 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?

3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine has a molecular weight of 1077.36 g/mol, XLogP of 20.46, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is sourced from PubChem (CID 140845214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).