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

C140H108F4N4 — CID 159549993

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

1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine (PubChem CID 159549993) has the molecular formula C140H108F4N4 and a molecular weight of 1922.42 g/mol. Its IUPAC name is 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine
• PubChem CID: 159549993
• Molecular Formula: C140H108F4N4
• Molecular Weight: 1922.42 g/mol
• Exact Mass: 1920.85
• IUPAC Name: 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine
• SMILES: Cc1cccc(-c2cc(-c3cccc(C)c3)cc(N(c3cc(C)ccc3F)c3ccc4ccc5c(N(c6cc(-c7cccc(C)c7)cc(-c7cccc(C)c7)c6)c6cc(C)ccc6F)ccc6ccc3c4c65)c2)c1.Cc1cccc(-c2cc(-c3cccc(C)c3)cc(N(c3ccc(C)cc3F)c3ccc4ccc5c(N(c6cc(-c7cccc(C)c7)cc(-c7cccc(C)c7)c6)c6ccc(C)cc6F)ccc6ccc3c4c65)c2)c1
• InChI: InChI=1S/2C70H54F2N2/c1-43-11-7-15-51(31-43)55-37-56(52-16-8-12-44(2)32-52)40-59(39-55)73(67-27-19-47(5)35-63(67)71)65-29-23-49-22-26-62-66(30-24-50-21-25-61(65)69(49)70(50)62)74(68-28-20-48(6)36-64(68)72)60-41-57(53-17-9-13-45(3)33-53)38-58(42-60)54-18-10-14-46(4)34-54;1-43-11-7-15-51(31-43)55-37-56(52-16-8-12-44(2)32-52)40-59(39-55)73(67-35-47(5)19-27-63(67)71)65-29-23-49-22-26-62-66(30-24-50-21-25-61(65)69(49)70(50)62)74(68-36-48(6)20-28-64(68)72)60-41-57(53-17-9-13-45(3)33-53)38-58(42-60)54-18-10-14-46(4)34-54/h2*7-42H,1-6H3
• InChIKey: MFGNBLMBVJGULZ-UHFFFAOYSA-N
• XLogP: 40.64
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1922.42
LogP ≤ 5	40.64
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(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine (CID 159549993) is 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine.

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

The canonical SMILES for 1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine is Cc1cccc(-c2cc(-c3cccc(C)c3)cc(N(c3cc(C)ccc3F)c3ccc4ccc5c(N(c6cc(-c7cccc(C)c7)cc(-c7cccc(C)c7)c6)c6cc(C)ccc6F)ccc6ccc3c4c65)c2)c1.Cc1cccc(-c2cc(-c3cccc(C)c3)cc(N(c3ccc(C)cc3F)c3ccc4ccc5c(N(c6cc(-c7cccc(C)c7)cc(-c7cccc(C)c7)c6)c6ccc(C)cc6F)ccc6ccc3c4c65)c2)c1.

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

The InChIKey is MFGNBLMBVJGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H54F2N2/c1-43-11-7-15-51(31-43)55-37-56(52-16-8-12-44(2)32-52)40-59(39-55)73(67-27-19-47(5)35-63(67)71)65-29-23-49-22-26-62-66(30-24-50-21-25-61(65)69(49)70(50)62)74(68-28-20-48(6)36-64(68)72)60-41-57(53-17-9-13-45(3)33-53)38-58(42-60)54-18-10-14-46(4)34-54;1-43-11-7-15-51(31-43)55-37-56(52-16-8-12-44(2)32-52)40-59(39-55)73(67-35-47(5)19-27-63(67)71)65-29-23-49-22-26-62-66(30-24-50-21-25-61(65)69(49)70(50)62)74(68-36-48(6)20-28-64(68)72)60-41-57(53-17-9-13-45(3)33-53)38-58(42-60)54-18-10-14-46(4)34-54/h2*7-42H,1-6H3.

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

1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine has a molecular weight of 1922.42 g/mol, XLogP of 40.64, 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(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159549993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).