4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline

C118H90F7N7O — CID 159981673

About 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline

4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline (PubChem CID 159981673) has the molecular formula C118H90F7N7O and a molecular weight of 1755.05 g/mol. Its IUPAC name is 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline
• PubChem CID: 159981673
• Molecular Formula: C118H90F7N7O
• Molecular Weight: 1755.05 g/mol
• Exact Mass: 1753.71
• IUPAC Name: 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline
• SMILES: C(=C/C=C/c1nnco1)\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1cc(F)c(/C=C/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/C=C/c5cc(F)c(F)cc5F)cc4)cc3)cc2)cc1F.Cc1cc(F)c(/C=C/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1F
• InChI: InChI=1S/C51H37F5N2.C41H32F2N2.C26H21N3O/c1-36-32-48(53)39(33-47(36)52)14-10-8-12-37-20-24-43(25-21-37)57(41-16-4-2-5-17-41)45-28-30-46(31-29-45)58(42-18-6-3-7-19-42)44-26-22-38(23-27-44)13-9-11-15-40-34-50(55)51(56)35-49(40)54;1-31-29-41(43)33(30-40(31)42)14-12-11-13-32-21-23-37(24-22-32)45(36-19-9-4-10-20-36)39-27-25-38(26-28-39)44(34-15-5-2-6-16-34)35-17-7-3-8-18-35;1(2-10-16-26-28-27-21-30-26)5-11-22-17-19-25(20-18-22)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h2-35H,1H3;2-30H,1H3;1-21H/b12-8+,13-9+,14-10+,15-11+;13-11+,14-12+;2-1+,11-5+,16-10+
• InChIKey: OFVRSVDBHNAUCN-SOOQZGLKSA-N
• XLogP: 33.84
• TPSA: 55.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1755.05
LogP ≤ 5	33.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline?

The IUPAC name of 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline (CID 159981673) is 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline.

What is the SMILES notation for 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline?

The canonical SMILES for 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline is C(=C/C=C/c1nnco1)\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1cc(F)c(/C=C/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(/C=C/C=C/c5cc(F)c(F)cc5F)cc4)cc3)cc2)cc1F.Cc1cc(F)c(/C=C/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1F.

What is the InChIKey of 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline?

The InChIKey is OFVRSVDBHNAUCN-SOOQZGLKSA-N. The full InChI is InChI=1S/C51H37F5N2.C41H32F2N2.C26H21N3O/c1-36-32-48(53)39(33-47(36)52)14-10-8-12-37-20-24-43(25-21-37)57(41-16-4-2-5-17-41)45-28-30-46(31-29-45)58(42-18-6-3-7-19-42)44-26-22-38(23-27-44)13-9-11-15-40-34-50(55)51(56)35-49(40)54;1-31-29-41(43)33(30-40(31)42)14-12-11-13-32-21-23-37(24-22-32)45(36-19-9-4-10-20-36)39-27-25-38(26-28-39)44(34-15-5-2-6-16-34)35-17-7-3-8-18-35;1(2-10-16-26-28-27-21-30-26)5-11-22-17-19-25(20-18-22)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h2-35H,1H3;2-30H,1H3;1-21H/b12-8+,13-9+,14-10+,15-11+;13-11+,14-12+;2-1+,11-5+,16-10+.

What are the key properties of 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline?

4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline has a molecular weight of 1755.05 g/mol, XLogP of 33.84, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,4-N-diphenyl-1-N-[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine;4-N-[4-[(1E,3E)-4-(2,5-difluoro-4-methylphenyl)buta-1,3-dienyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-[(1E,3E,5E)-6-(1,3,4-oxadiazol-2-yl)hexa-1,3,5-trienyl]-N,N-diphenylaniline is sourced from PubChem (CID 159981673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).