2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine

C93H65F5N2O2Si — CID 177262676

About 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine

2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine (PubChem CID 177262676) has the molecular formula C93H65F5N2O2Si and a molecular weight of 1365.63 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine
• PubChem CID: 177262676
• Molecular Formula: C93H65F5N2O2Si
• Molecular Weight: 1365.63 g/mol
• Exact Mass: 1364.47
• IUPAC Name: 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(F)c(C)c5)c5ccc6c(c5)-c5cc(N(c7ccc(F)c(F)c7)c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)ccc5[Si]6(C)C)cc43)cc2)cc1
• InChI: InChI=1S/C93H65F5N2O2Si/c1-6-59-16-38-73(39-17-59)101-75-42-24-63(25-43-75)92(61-20-28-65(94)29-21-61)83-14-10-8-12-77(83)79-46-32-70(55-85(79)92)99(67-34-48-87(96)58(3)52-67)68-36-50-90-81(53-68)82-54-69(37-51-91(82)103(90,4)5)100(72-35-49-88(97)89(98)57-72)71-33-47-80-78-13-9-11-15-84(78)93(86(80)56-71,62-22-30-66(95)31-23-62)64-26-44-76(45-27-64)102-74-40-18-60(7-2)19-41-74/h6-57H,1-2H2,3-5H3
• InChIKey: ABEFXBDUKKSEQO-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.63
LogP ≤ 5	24.03
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-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine?

The IUPAC name of 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine (CID 177262676) is 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine.

What is the SMILES notation for 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine?

The canonical SMILES for 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(F)c(C)c5)c5ccc6c(c5)-c5cc(N(c7ccc(F)c(F)c7)c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)ccc5[Si]6(C)C)cc43)cc2)cc1.

What is the InChIKey of 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine?

The InChIKey is ABEFXBDUKKSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H65F5N2O2Si/c1-6-59-16-38-73(39-17-59)101-75-42-24-63(25-43-75)92(61-20-28-65(94)29-21-61)83-14-10-8-12-77(83)79-46-32-70(55-85(79)92)99(67-34-48-87(96)58(3)52-67)68-36-50-90-81(53-68)82-54-69(37-51-91(82)103(90,4)5)100(72-35-49-88(97)89(98)57-72)71-33-47-80-78-13-9-11-15-84(78)93(86(80)56-71,62-22-30-66(95)31-23-62)64-26-44-76(45-27-64)102-74-40-18-60(7-2)19-41-74/h6-57H,1-2H2,3-5H3.

What are the key properties of 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine?

2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine has a molecular weight of 1365.63 g/mol, XLogP of 24.03, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine is sourced from PubChem (CID 177262676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).