1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

C116H92F12N4Si4 — CID 159763596

About 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 159763596) has the molecular formula C116H92F12N4Si4 and a molecular weight of 1882.36 g/mol. Its IUPAC name is 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
• PubChem CID: 159763596
• Molecular Formula: C116H92F12N4Si4
• Molecular Weight: 1882.36 g/mol
• Exact Mass: 1880.62
• IUPAC Name: 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2cc(F)c(-c3ccc(F)cc3)cc2F)c2ccc3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cc(F)c(-c6ccc(F)cc6)cc5F)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(N(c2cc(F)c(-c3cccc(F)c3)cc2F)c2ccc3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cc(F)c(-c6cccc(F)c6)cc5F)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/2C58H46F6N2Si2/c1-67(2,3)43-23-19-41(20-24-43)65(55-33-49(61)47(31-51(55)63)35-7-15-39(59)16-8-35)53-29-13-37-12-28-46-54(30-14-38-11-27-45(53)57(37)58(38)46)66(42-21-25-44(26-22-42)68(4,5)6)56-34-50(62)48(32-52(56)64)36-9-17-40(60)18-10-36;1-67(2,3)43-21-17-41(18-22-43)65(55-33-49(61)47(31-51(55)63)37-9-7-11-39(59)29-37)53-27-15-35-14-26-46-54(28-16-36-13-25-45(53)57(35)58(36)46)66(42-19-23-44(24-20-42)68(4,5)6)56-34-50(62)48(32-52(56)64)38-10-8-12-40(60)30-38/h2*7-34H,1-6H3
• InChIKey: NFFFIUYECPLNSG-UHFFFAOYSA-N
• XLogP: 33.57
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1882.36
LogP ≤ 5	33.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 159763596) is 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is C[Si](C)(C)c1ccc(N(c2cc(F)c(-c3ccc(F)cc3)cc2F)c2ccc3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cc(F)c(-c6ccc(F)cc6)cc5F)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(N(c2cc(F)c(-c3cccc(F)c3)cc2F)c2ccc3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cc(F)c(-c6cccc(F)c6)cc5F)ccc5ccc2c3c54)cc1.

What is the InChIKey of 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

The InChIKey is NFFFIUYECPLNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H46F6N2Si2/c1-67(2,3)43-23-19-41(20-24-43)65(55-33-49(61)47(31-51(55)63)35-7-15-39(59)16-8-35)53-29-13-37-12-28-46-54(30-14-38-11-27-45(53)57(37)58(38)46)66(42-21-25-44(26-22-42)68(4,5)6)56-34-50(62)48(32-52(56)64)36-9-17-40(60)18-10-36;1-67(2,3)43-21-17-41(18-22-43)65(55-33-49(61)47(31-51(55)63)37-9-7-11-39(59)29-37)53-27-15-35-14-26-46-54(28-16-36-13-25-45(53)57(35)58(36)46)66(42-19-23-44(24-20-42)68(4,5)6)56-34-50(62)48(32-52(56)64)38-10-8-12-40(60)30-38/h2*7-34H,1-6H3.

What are the key properties of 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?

1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 1882.36 g/mol, XLogP of 33.57, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis[2,5-difluoro-4-(3-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[2,5-difluoro-4-(4-fluorophenyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159763596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).