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

C144H112F8N4 — CID 159347506

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

1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine (PubChem CID 159347506) has the molecular formula C144H112F8N4 and a molecular weight of 2050.49 g/mol. Its IUPAC name is 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine
• PubChem CID: 159347506
• Molecular Formula: C144H112F8N4
• Molecular Weight: 2050.49 g/mol
• Exact Mass: 2048.88
• IUPAC Name: 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine
• SMILES: Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)cc(N(c2cc(F)cc(F)c2)c2ccc3ccc4c(N(c5cc(F)cc(F)c5)c5cc(-c6c(C)cccc6C)cc(-c6c(C)cccc6C)c5)ccc5ccc2c3c54)c1.Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)cc(N(c2ccc(F)cc2F)c2ccc3ccc4c(N(c5cc(-c6c(C)cccc6C)cc(-c6c(C)cccc6C)c5)c5ccc(F)cc5F)ccc5ccc2c3c54)c1
• InChI: InChI=1S/2C72H56F4N2/c1-41-13-9-14-42(2)67(41)51-33-52(68-43(3)15-10-16-44(68)4)36-57(35-51)77(65-31-25-55(73)39-61(65)75)63-29-23-49-22-28-60-64(30-24-50-21-27-59(63)71(49)72(50)60)78(66-32-26-56(74)40-62(66)76)58-37-53(69-45(5)17-11-18-46(69)6)34-54(38-58)70-47(7)19-12-20-48(70)8;1-41-13-9-14-42(2)67(41)51-29-52(68-43(3)15-10-16-44(68)4)32-59(31-51)77(61-37-55(73)35-56(74)38-61)65-27-23-49-22-26-64-66(28-24-50-21-25-63(65)71(49)72(50)64)78(62-39-57(75)36-58(76)40-62)60-33-53(69-45(5)17-11-18-46(69)6)30-54(34-60)70-47(7)19-12-20-48(70)8/h2*9-40H,1-8H3
• InChIKey: LGXKIEQWWHHXEW-UHFFFAOYSA-N
• XLogP: 42.43
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2050.49
LogP ≤ 5	42.43
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-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine (CID 159347506) is 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine.

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

The canonical SMILES for 1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine is Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)cc(N(c2cc(F)cc(F)c2)c2ccc3ccc4c(N(c5cc(F)cc(F)c5)c5cc(-c6c(C)cccc6C)cc(-c6c(C)cccc6C)c5)ccc5ccc2c3c54)c1.Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)cc(N(c2ccc(F)cc2F)c2ccc3ccc4c(N(c5cc(-c6c(C)cccc6C)cc(-c6c(C)cccc6C)c5)c5ccc(F)cc5F)ccc5ccc2c3c54)c1.

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

The InChIKey is LGXKIEQWWHHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H56F4N2/c1-41-13-9-14-42(2)67(41)51-33-52(68-43(3)15-10-16-44(68)4)36-57(35-51)77(65-31-25-55(73)39-61(65)75)63-29-23-49-22-28-60-64(30-24-50-21-27-59(63)71(49)72(50)60)78(66-32-26-56(74)40-62(66)76)58-37-53(69-45(5)17-11-18-46(69)6)34-54(38-58)70-47(7)19-12-20-48(70)8;1-41-13-9-14-42(2)67(41)51-29-52(68-43(3)15-10-16-44(68)4)32-59(31-51)77(61-37-55(73)35-56(74)38-61)65-27-23-49-22-26-64-66(28-24-50-21-25-63(65)71(49)72(50)64)78(62-39-57(75)36-58(76)40-62)60-33-53(69-45(5)17-11-18-46(69)6)30-54(34-60)70-47(7)19-12-20-48(70)8/h2*9-40H,1-8H3.

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

1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine has a molecular weight of 2050.49 g/mol, XLogP of 42.43, 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-dimethylphenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis(3,5-difluorophenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159347506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).