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

C128H66F22N4 — CID 160889889

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

1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine (PubChem CID 160889889) has the molecular formula C128H66F22N4 and a molecular weight of 2077.92 g/mol. Its IUPAC name is 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
• PubChem CID: 160889889
• Molecular Formula: C128H66F22N4
• Molecular Weight: 2077.92 g/mol
• Exact Mass: 2076.49
• IUPAC Name: 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
• SMILES: Fc1ccc(N(c2cc(-c3c(F)cccc3F)cc(-c3c(F)cccc3F)c2)c2ccc3ccc4c(N(c5cc(-c6c(F)cccc6F)cc(-c6c(F)cccc6F)c5)c5ccc(F)cc5F)ccc5ccc2c3c54)c(F)c1.Fc1ccccc1N(c1cc(-c2c(F)cccc2F)cc(-c2c(F)cccc2F)c1)c1ccc2ccc3c(N(c4cc(-c5c(F)cccc5F)cc(-c5c(F)cccc5F)c4)c4ccccc4F)ccc4ccc1c2c43
• InChI: InChI=1S/C64H32F12N2.C64H34F10N2/c65-39-17-23-57(53(75)31-39)77(41-27-35(61-45(67)5-1-6-46(61)68)25-36(28-41)62-47(69)7-2-8-48(62)70)55-21-15-33-14-20-44-56(22-16-34-13-19-43(55)59(33)60(34)44)78(58-24-18-40(66)32-54(58)76)42-29-37(63-49(71)9-3-10-50(63)72)26-38(30-42)64-51(73)11-4-12-52(64)74;65-45-9-1-3-19-57(45)75(41-31-37(61-47(67)11-5-12-48(61)68)29-38(32-41)62-49(69)13-6-14-50(62)70)55-27-23-35-22-26-44-56(28-24-36-21-25-43(55)59(35)60(36)44)76(58-20-4-2-10-46(58)66)42-33-39(63-51(71)15-7-16-52(63)72)30-40(34-42)64-53(73)17-8-18-54(64)74/h1-32H;1-34H
• InChIKey: SOCWYBBSTGVUSK-UHFFFAOYSA-N
• XLogP: 39.44
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2077.92
LogP ≤ 5	39.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine (CID 160889889) is 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine.

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

The canonical SMILES for 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine is Fc1ccc(N(c2cc(-c3c(F)cccc3F)cc(-c3c(F)cccc3F)c2)c2ccc3ccc4c(N(c5cc(-c6c(F)cccc6F)cc(-c6c(F)cccc6F)c5)c5ccc(F)cc5F)ccc5ccc2c3c54)c(F)c1.Fc1ccccc1N(c1cc(-c2c(F)cccc2F)cc(-c2c(F)cccc2F)c1)c1ccc2ccc3c(N(c4cc(-c5c(F)cccc5F)cc(-c5c(F)cccc5F)c4)c4ccccc4F)ccc4ccc1c2c43.

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

The InChIKey is SOCWYBBSTGVUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H32F12N2.C64H34F10N2/c65-39-17-23-57(53(75)31-39)77(41-27-35(61-45(67)5-1-6-46(61)68)25-36(28-41)62-47(69)7-2-8-48(62)70)55-21-15-33-14-20-44-56(22-16-34-13-19-43(55)59(33)60(34)44)78(58-24-18-40(66)32-54(58)76)42-29-37(63-49(71)9-3-10-50(63)72)26-38(30-42)64-51(73)11-4-12-52(64)74;65-45-9-1-3-19-57(45)75(41-31-37(61-47(67)11-5-12-48(61)68)29-38(32-41)62-49(69)13-6-14-50(62)70)55-27-23-35-22-26-44-56(28-24-36-21-25-43(55)59(35)60(36)44)76(58-20-4-2-10-46(58)66)42-33-39(63-51(71)15-7-16-52(63)72)30-40(34-42)64-53(73)17-8-18-54(64)74/h1-32H;1-34H.

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

1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine has a molecular weight of 2077.92 g/mol, XLogP of 39.44, 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[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine is sourced from PubChem (CID 160889889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).