1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine

C82H90F2N2Si6 — CID 59357649

About 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine

1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 59357649) has the molecular formula C82H90F2N2Si6 and a molecular weight of 1310.15 g/mol. Its IUPAC name is 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine
• PubChem CID: 59357649
• Molecular Formula: C82H90F2N2Si6
• Molecular Weight: 1310.15 g/mol
• Exact Mass: 1308.57
• IUPAC Name: 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine
• SMILES: C[Si](C)(C)c1ccc(-c2cc(F)c(N(c3ccccc3[Si](C)(C)C)c3ccc4ccc5c(N(c6ccccc6[Si](C)(C)C)c6c(F)cc(-c7ccc([Si](C)(C)C)cc7)cc6-c6ccc([Si](C)(C)C)cc6)ccc6ccc3c4c65)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1
• InChI: InChI=1S/C82H90F2N2Si6/c1-87(2,3)63-39-27-55(28-40-63)61-51-69(57-31-43-65(44-32-57)89(7,8)9)81(71(83)53-61)85(75-23-19-21-25-77(75)91(13,14)15)73-49-37-59-36-48-68-74(50-38-60-35-47-67(73)79(59)80(60)68)86(76-24-20-22-26-78(76)92(16,17)18)82-70(58-33-45-66(46-34-58)90(10,11)12)52-62(54-72(82)84)56-29-41-64(42-30-56)88(4,5)6/h19-54H,1-18H3
• InChIKey: XIDTTZDTADNRCA-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1310.15
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine (CID 59357649) is 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine is C[Si](C)(C)c1ccc(-c2cc(F)c(N(c3ccccc3[Si](C)(C)C)c3ccc4ccc5c(N(c6ccccc6[Si](C)(C)C)c6c(F)cc(-c7ccc([Si](C)(C)C)cc7)cc6-c6ccc([Si](C)(C)C)cc6)ccc6ccc3c4c65)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1.

What is the InChIKey of 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The InChIKey is XIDTTZDTADNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H90F2N2Si6/c1-87(2,3)63-39-27-55(28-40-63)61-51-69(57-31-43-65(44-32-57)89(7,8)9)81(71(83)53-61)85(75-23-19-21-25-77(75)91(13,14)15)73-49-37-59-36-48-68-74(50-38-60-35-47-67(73)79(59)80(60)68)86(76-24-20-22-26-78(76)92(16,17)18)82-70(58-33-45-66(46-34-58)90(10,11)12)52-62(54-72(82)84)56-29-41-64(42-30-56)88(4,5)6/h19-54H,1-18H3.

What are the key properties of 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine?

1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 1310.15 g/mol, XLogP of 21.74, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 59357649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).