3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine

C108H120N4O2Si2 — CID 157136394

About 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine

3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine (PubChem CID 157136394) has the molecular formula C108H120N4O2Si2 and a molecular weight of 1562.35 g/mol. Its IUPAC name is 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine.

Molecular Properties

• Compound Name: 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
• PubChem CID: 157136394
• Molecular Formula: C108H120N4O2Si2
• Molecular Weight: 1562.35 g/mol
• Exact Mass: 1560.89
• IUPAC Name: 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
• SMILES: CC(C)(C)c1ccc(N(c2cccc(C(C)(C)C)c2)c2ccc3c(c2)-c2oc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4c2[Si]3(C)C)cc1.Cc1cc(C)c(N(c2ccc3c(c2)-c2oc4ccc(N(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4c2[Si]3(C)C)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C56H64N2OSi.C52H56N2OSi/c1-53(2,3)37-18-24-41(25-19-37)57(42-26-20-38(21-27-42)54(4,5)6)45-30-32-49-47(35-45)52-51(59-49)48-36-46(31-33-50(48)60(52,13)14)58(43-28-22-39(23-29-43)55(7,8)9)44-17-15-16-40(34-44)56(10,11)12;1-29-19-33(5)47(34(6)20-29)53(48-35(7)21-30(2)22-36(48)8)41-15-17-45-43(27-41)52-51(55-45)44-28-42(16-18-46(44)56(52,13)14)54(49-37(9)23-31(3)24-38(49)10)50-39(11)25-32(4)26-40(50)12/h15-36H,1-14H3;15-28H,1-14H3
• InChIKey: AJRCIBZWGRODLN-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1562.35
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine?

The IUPAC name of 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine (CID 157136394) is 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine.

What is the SMILES notation for 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine?

The canonical SMILES for 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine is CC(C)(C)c1ccc(N(c2cccc(C(C)(C)C)c2)c2ccc3c(c2)-c2oc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4c2[Si]3(C)C)cc1.Cc1cc(C)c(N(c2ccc3c(c2)-c2oc4ccc(N(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4c2[Si]3(C)C)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine?

The InChIKey is AJRCIBZWGRODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N2OSi.C52H56N2OSi/c1-53(2,3)37-18-24-41(25-19-37)57(42-26-20-38(21-27-42)54(4,5)6)45-30-32-49-47(35-45)52-51(59-49)48-36-46(31-33-50(48)60(52,13)14)58(43-28-22-39(23-29-43)55(7,8)9)44-17-15-16-40(34-44)56(10,11)12;1-29-19-33(5)47(34(6)20-29)53(48-35(7)21-30(2)22-36(48)8)41-15-17-45-43(27-41)52-51(55-45)44-28-42(16-18-46(44)56(52,13)14)54(49-37(9)23-31(3)24-38(49)10)50-39(11)25-32(4)26-40(50)12/h15-36H,1-14H3;15-28H,1-14H3.

What are the key properties of 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine?

3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine has a molecular weight of 1562.35 g/mol, XLogP of 29.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine is sourced from PubChem (CID 157136394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).