N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C161H103F3N16O6 — CID 163956388

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 163956388) has the molecular formula C161H103F3N16O6 and a molecular weight of 2414.69 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• PubChem CID: 163956388
• Molecular Formula: C161H103F3N16O6
• Molecular Weight: 2414.69 g/mol
• Exact Mass: 2412.82
• IUPAC Name: N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
• SMILES: C/C(C#N)=c1/nc(-c2ccc(C)nc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccc(C(F)(F)F)nc2)o1.C/C(C#N)=c1/nc(-c2ccccc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccncc2)o1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C60H44N2.C54H35NO2.C24H12F3N7O2.C23H12N6O2/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-12(7-28)22-33-18(14-4-3-13(2)31-10-14)20(35-22)21-19(34-23(36-21)16(8-29)9-30)15-5-6-17(32-11-15)24(25,26)27;1-14(11-24)22-28-18(15-5-3-2-4-6-15)20(30-22)21-19(16-7-9-27-10-8-16)29-23(31-21)17(12-25)13-26/h1-44H;1-35H;3-6,10-11H,1-2H3;2-10H,1H3/b;;21-20+,22-12+;21-20+,22-14+
• InChIKey: SDSSEMJFRWSJRS-OLIYVQLGSA-N
• XLogP: 38.45
• TPSA: 321.53 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.69
LogP ≤ 5	38.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 163956388) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is C/C(C#N)=c1/nc(-c2ccc(C)nc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccc(C(F)(F)F)nc2)o1.C/C(C#N)=c1/nc(-c2ccccc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccncc2)o1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

The InChIKey is SDSSEMJFRWSJRS-OLIYVQLGSA-N. The full InChI is InChI=1S/C60H44N2.C54H35NO2.C24H12F3N7O2.C23H12N6O2/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-12(7-28)22-33-18(14-4-3-13(2)31-10-14)20(35-22)21-19(34-23(36-21)16(8-29)9-30)15-5-6-17(32-11-15)24(25,26)27;1-14(11-24)22-28-18(15-5-3-2-4-6-15)20(30-22)21-19(16-7-9-27-10-8-16)29-23(31-21)17(12-25)13-26/h1-44H;1-35H;3-6,10-11H,1-2H3;2-10H,1H3/b;;21-20+,22-12+;21-20+,22-14+.

What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 2414.69 g/mol, XLogP of 38.45, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-(6-methyl-3-pyridinyl)-1,3-oxazol-5-ylidene]-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-ylidene]propanedinitrile;2-[(5E)-5-[(2E)-2-(1-cyanoethylidene)-4-phenyl-1,3-oxazol-5-ylidene]-4-pyridin-4-yl-1,3-oxazol-2-ylidene]propanedinitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 163956388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).