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

C136H88F16N4 — CID 158504513

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

1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine (PubChem CID 158504513) has the molecular formula C136H88F16N4 and a molecular weight of 2082.20 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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
• PubChem CID: 158504513
• Molecular Formula: C136H88F16N4
• Molecular Weight: 2082.20 g/mol
• Exact Mass: 2080.68
• IUPAC Name: 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
• SMILES: Cc1ccc(N(c2cc(-c3c(F)cccc3F)cc(-c3c(F)cccc3F)c2)c2ccc3ccc4c(N(c5cc(-c6c(F)cccc6F)cc(-c6c(F)cccc6F)c5)c5ccc(C)cc5C)ccc5ccc2c3c54)c(C)c1.Cc1cccc(C)c1N(c1cc(-c2c(F)cccc2F)cc(-c2c(F)cccc2F)c1)c1ccc2ccc3c(N(c4cc(-c5c(F)cccc5F)cc(-c5c(F)cccc5F)c4)c4c(C)cccc4C)ccc4ccc1c2c43
• InChI: InChI=1S/2C68H44F8N2/c1-37-11-5-12-38(2)67(37)77(47-33-43(63-51(69)15-7-16-52(63)70)31-44(34-47)64-53(71)17-8-18-54(64)72)59-29-25-41-24-28-50-60(30-26-42-23-27-49(59)61(41)62(42)50)78(68-39(3)13-6-14-40(68)4)48-35-45(65-55(73)19-9-20-56(65)74)32-46(36-48)66-57(75)21-10-22-58(66)76;1-37-17-25-59(39(3)29-37)77(47-33-43(65-51(69)9-5-10-52(65)70)31-44(34-47)66-53(71)11-6-12-54(66)72)61-27-21-41-20-24-50-62(28-22-42-19-23-49(61)63(41)64(42)50)78(60-26-18-38(2)30-40(60)4)48-35-45(67-55(73)13-7-14-56(67)74)32-46(36-48)68-57(75)15-8-16-58(68)76/h2*5-36H,1-4H3
• InChIKey: HKHPVSMRZDWVTD-UHFFFAOYSA-N
• XLogP: 41.08
• 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	2082.20
LogP ≤ 5	41.08
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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine (CID 158504513) is 1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine is Cc1ccc(N(c2cc(-c3c(F)cccc3F)cc(-c3c(F)cccc3F)c2)c2ccc3ccc4c(N(c5cc(-c6c(F)cccc6F)cc(-c6c(F)cccc6F)c5)c5ccc(C)cc5C)ccc5ccc2c3c54)c(C)c1.Cc1cccc(C)c1N(c1cc(-c2c(F)cccc2F)cc(-c2c(F)cccc2F)c1)c1ccc2ccc3c(N(c4cc(-c5c(F)cccc5F)cc(-c5c(F)cccc5F)c4)c4c(C)cccc4C)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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine?

The InChIKey is HKHPVSMRZDWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H44F8N2/c1-37-11-5-12-38(2)67(37)77(47-33-43(63-51(69)15-7-16-52(63)70)31-44(34-47)64-53(71)17-8-18-54(64)72)59-29-25-41-24-28-50-60(30-26-42-23-27-49(59)61(41)62(42)50)78(68-39(3)13-6-14-40(68)4)48-35-45(65-55(73)19-9-20-56(65)74)32-46(36-48)66-57(75)21-10-22-58(66)76;1-37-17-25-59(39(3)29-37)77(47-33-43(65-51(69)9-5-10-52(65)70)31-44(34-47)66-53(71)11-6-12-54(66)72)61-27-21-41-20-24-50-62(28-22-42-19-23-49(61)63(41)64(42)50)78(60-26-18-38(2)30-40(60)4)48-35-45(67-55(73)13-7-14-56(67)74)32-46(36-48)68-57(75)15-8-16-58(68)76/h2*5-36H,1-4H3.

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

1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine has a molecular weight of 2082.20 g/mol, XLogP of 41.08, 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-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158504513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).