2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine

C102H70F2N2O2Si — CID 177262640

About 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine (PubChem CID 177262640) has the molecular formula C102H70F2N2O2Si and a molecular weight of 1421.78 g/mol. Its IUPAC name is 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine.

Molecular Properties

• Compound Name: 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
• PubChem CID: 177262640
• Molecular Formula: C102H70F2N2O2Si
• Molecular Weight: 1421.78 g/mol
• Exact Mass: 1420.52
• IUPAC Name: 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)-c5cc(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)ccc5[Si]6(c5ccccc5)c5ccccc5)cc43)cc2)cc1
• InChI: InChI=1S/C102H70F2N2O2Si/c1-3-69-33-53-83(54-34-69)107-85-57-37-73(38-58-85)101(71-21-9-5-10-22-71)95-31-19-17-29-89(95)91-61-49-81(67-97(91)101)105(77-45-41-75(103)42-46-77)79-51-63-99-93(65-79)94-66-80(52-64-100(94)109(99,87-25-13-7-14-26-87)88-27-15-8-16-28-88)106(78-47-43-76(104)44-48-78)82-50-62-92-90-30-18-20-32-96(90)102(98(92)68-82,72-23-11-6-12-24-72)74-39-59-86(60-40-74)108-84-55-35-70(4-2)36-56-84/h3-68H,1-2H2
• InChIKey: JNTLIJOSQUMDIJ-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.78
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?

The IUPAC name of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine (CID 177262640) is 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine.

What is the SMILES notation for 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?

The canonical SMILES for 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)-c5cc(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)ccc5[Si]6(c5ccccc5)c5ccccc5)cc43)cc2)cc1.

What is the InChIKey of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?

The InChIKey is JNTLIJOSQUMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70F2N2O2Si/c1-3-69-33-53-83(54-34-69)107-85-57-37-73(38-58-85)101(71-21-9-5-10-22-71)95-31-19-17-29-89(95)91-61-49-81(67-97(91)101)105(77-45-41-75(103)42-46-77)79-51-63-99-93(65-79)94-66-80(52-64-100(94)109(99,87-25-13-7-14-26-87)88-27-15-8-16-28-88)106(78-47-43-76(104)44-48-78)82-50-62-92-90-30-18-20-32-96(90)102(98(92)68-82,72-23-11-6-12-24-72)74-39-59-86(60-40-74)108-84-55-35-70(4-2)36-56-84/h3-68H,1-2H2.

What are the key properties of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine has a molecular weight of 1421.78 g/mol, XLogP of 23.86, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine is sourced from PubChem (CID 177262640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).