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

C130H74F18N4 — CID 159240803

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

1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine (PubChem CID 159240803) has the molecular formula C130H74F18N4 and a molecular weight of 2034.01 g/mol. Its IUPAC name is 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
• PubChem CID: 159240803
• Molecular Formula: C130H74F18N4
• Molecular Weight: 2034.01 g/mol
• Exact Mass: 2032.56
• IUPAC Name: 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
• SMILES: Fc1cccc(-c2cc(-c3cccc(F)c3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c(N(c6ccc(C(F)(F)F)cc6)c6cc(-c7cccc(F)c7)cc(-c7cccc(F)c7)c6)ccc6ccc3c4c65)c2)c1.Fc1cccc(-c2cc(-c3cccc(F)c3)cc(N(c3cccc(F)c3F)c3ccc4ccc5c(N(c6cc(-c7cccc(F)c7)cc(-c7cccc(F)c7)c6)c6cccc(F)c6F)ccc6ccc3c4c65)c2)c1
• InChI: InChI=1S/C66H38F10N2.C64H36F8N2/c67-51-9-1-5-41(31-51)45-29-46(42-6-2-10-52(68)32-42)36-57(35-45)77(55-21-17-49(18-22-55)65(71,72)73)61-27-15-39-14-26-60-62(28-16-40-13-25-59(61)63(39)64(40)60)78(56-23-19-50(20-24-56)66(74,75)76)58-37-47(43-7-3-11-53(69)33-43)30-48(38-58)44-8-4-12-54(70)34-44;65-47-11-1-7-39(29-47)43-27-44(40-8-2-12-48(66)30-40)34-51(33-43)73(59-17-5-15-55(69)63(59)71)57-25-21-37-20-24-54-58(26-22-38-19-23-53(57)61(37)62(38)54)74(60-18-6-16-56(70)64(60)72)52-35-45(41-9-3-13-49(67)31-41)28-46(36-52)42-10-4-14-50(68)32-42/h1-38H;1-36H
• InChIKey: KUBKHRXEEIQSOW-UHFFFAOYSA-N
• XLogP: 40.09
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2034.01
LogP ≤ 5	40.09
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-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine (CID 159240803) is 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine.

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

The canonical SMILES for 1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine is Fc1cccc(-c2cc(-c3cccc(F)c3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c(N(c6ccc(C(F)(F)F)cc6)c6cc(-c7cccc(F)c7)cc(-c7cccc(F)c7)c6)ccc6ccc3c4c65)c2)c1.Fc1cccc(-c2cc(-c3cccc(F)c3)cc(N(c3cccc(F)c3F)c3ccc4ccc5c(N(c6cc(-c7cccc(F)c7)cc(-c7cccc(F)c7)c6)c6cccc(F)c6F)ccc6ccc3c4c65)c2)c1.

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

The InChIKey is KUBKHRXEEIQSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38F10N2.C64H36F8N2/c67-51-9-1-5-41(31-51)45-29-46(42-6-2-10-52(68)32-42)36-57(35-45)77(55-21-17-49(18-22-55)65(71,72)73)61-27-15-39-14-26-60-62(28-16-40-13-25-59(61)63(39)64(40)60)78(56-23-19-50(20-24-56)66(74,75)76)58-37-47(43-7-3-11-53(69)33-43)30-48(38-58)44-8-4-12-54(70)34-44;65-47-11-1-7-39(29-47)43-27-44(40-8-2-12-48(66)30-40)34-51(33-43)73(59-17-5-15-55(69)63(59)71)57-25-21-37-20-24-54-58(26-22-38-19-23-53(57)61(37)62(38)54)74(60-18-6-16-56(70)64(60)72)52-35-45(41-9-3-13-49(67)31-41)28-46(36-52)42-10-4-14-50(68)32-42/h1-38H;1-36H.

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

1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine has a molecular weight of 2034.01 g/mol, XLogP of 40.09, 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-fluorophenyl)phenyl]-1-N,6-N-bis(2,3-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 159240803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).