7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

C88H90N2OSi — CID 163567021

About 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 163567021) has the molecular formula C88H90N2OSi and a molecular weight of 1219.79 g/mol. Its IUPAC name is 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

• Compound Name: 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
• PubChem CID: 163567021
• Molecular Formula: C88H90N2OSi
• Molecular Weight: 1219.79 g/mol
• Exact Mass: 1218.68
• IUPAC Name: 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc([Si](C)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc2)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1
• InChI: InChI=1S/C88H90N2OSi/c1-83(2,3)59-31-33-64(34-32-59)88(65-43-54-73(55-44-65)92(16,71-50-39-62(40-51-71)86(10,11)12)72-52-41-63(42-53-72)87(13,14)15)76-57-70(89(66-25-19-17-20-26-66)68-45-35-60(36-46-68)84(4,5)6)49-56-74(76)80-77(88)58-78(81-75-29-23-24-30-79(75)91-82(80)81)90(67-27-21-18-22-28-67)69-47-37-61(38-48-69)85(7,8)9/h17-58H,1-16H3
• InChIKey: RKSUDCCXSZPMNG-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.79
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?

The IUPAC name of 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 163567021) is 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.

What is the SMILES notation for 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?

The canonical SMILES for 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc([Si](C)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc2)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1.

What is the InChIKey of 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?

The InChIKey is RKSUDCCXSZPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H90N2OSi/c1-83(2,3)59-31-33-64(34-32-59)88(65-43-54-73(55-44-65)92(16,71-50-39-62(40-51-71)86(10,11)12)72-52-41-63(42-53-72)87(13,14)15)76-57-70(89(66-25-19-17-20-26-66)68-45-35-60(36-46-68)84(4,5)6)49-56-74(76)80-77(88)58-78(81-75-29-23-24-30-79(75)91-82(80)81)90(67-27-21-18-22-28-67)69-47-37-61(38-48-69)85(7,8)9/h17-58H,1-16H3.

What are the key properties of 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?

7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1219.79 g/mol, XLogP of 22.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 163567021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).