N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

C275H184F3N13O3 — CID 163795373

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 163795373) has the molecular formula C275H184F3N13O3 and a molecular weight of 3783.63 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• PubChem CID: 163795373
• Molecular Formula: C275H184F3N13O3
• Molecular Weight: 3783.63 g/mol
• Exact Mass: 3780.51
• IUPAC Name: N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
• SMILES: CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.[2H]c1c([2H])c([2H])c2c(-c3ccc(C4C=c5ccccc5=CC4)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(C3=c4ccccc4=CCC3)c2c1[2H].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C60H44N2.C54H35NO2.C52H34N4.C41H30N2.C40H30.C28H11F3N4O/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;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;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h1-44H;1-35H;1-34H;3-27H,2H2,1H3;1-8,10-18,20-24,26,32H,9,19,25H2;4-11H,1H3/b;;;;;26-24+,27-25-/i;;;;5D,6D,7D,8D,15D,16D,17D,18D
• InChIKey: NAHPKEIXYZKWER-DGAWOGTISA-N
• XLogP: 71.26
• TPSA: 154.99 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 33
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3783.63
LogP ≤ 5	71.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (CID 163795373) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.[2H]c1c([2H])c([2H])c2c(-c3ccc(C4C=c5ccccc5=CC4)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(C3=c4ccccc4=CCC3)c2c1[2H].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

The InChIKey is NAHPKEIXYZKWER-DGAWOGTISA-N. The full InChI is InChI=1S/C60H44N2.C54H35NO2.C52H34N4.C41H30N2.C40H30.C28H11F3N4O/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;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;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h1-44H;1-35H;1-34H;3-27H,2H2,1H3;1-8,10-18,20-24,26,32H,9,19,25H2;4-11H,1H3/b;;;;;26-24+,27-25-/i;;;;5D,6D,7D,8D,15D,16D,17D,18D;.

What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 3783.63 g/mol, XLogP of 71.26, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3-dihydronaphthalen-1-yl)-10-[4-(2,3-dihydronaphthalen-2-yl)phenyl]anthracene;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 163795373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).