3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine

C334H271N25O4S — CID 159235646

About 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine

3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine (PubChem CID 159235646) has the molecular formula C334H271N25O4S and a molecular weight of 4731.08 g/mol. Its IUPAC name is 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine
• PubChem CID: 159235646
• Molecular Formula: C334H271N25O4S
• Molecular Weight: 4731.08 g/mol
• Exact Mass: 4727.15
• IUPAC Name: 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.CCCCCCCCOc1cc2c(cc1-c1cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c1)sc1cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c(OCCCCCCCC)cc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C80H96O2S.C55H34N6.C54H36N4.C49H30N2.C45H30N6.C30H30N4O2.C21H15N3/c1-15-17-19-21-23-25-43-81-73-51-71-72-52-74(82-44-26-24-22-20-18-16-2)70(64-49-61(57-31-39-67(40-32-57)79(9,10)11)46-62(50-64)58-33-41-68(42-34-58)80(12,13)14)54-76(72)83-75(71)53-69(73)63-47-59(55-27-35-65(36-28-55)77(3,4)5)45-60(48-63)56-29-37-66(38-30-56)78(6,7)8;1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-27-25-31(50-45-21-9-3-15-35(45)36-16-4-10-22-46(36)50)29-39(43)40-30-32(26-28-44(40)49)51-47-23-11-5-17-37(47)38-18-6-12-24-48(38)51;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h27-42,45-54H,15-26,43-44H2,1-14H3;1-34H;1-36H;2*1-30H;7-18H,1-6H3;1-15H
• InChIKey: KTLATICGJRMBIA-UHFFFAOYSA-N
• XLogP: 87.09
• TPSA: 293.66 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 49
• Heavy Atoms: 364
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4731.08
LogP ≤ 5	87.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine?

The IUPAC name of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine (CID 159235646) is 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine.

What is the SMILES notation for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine?

The canonical SMILES for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine is CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.CCCCCCCCOc1cc2c(cc1-c1cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c1)sc1cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c(OCCCCCCCC)cc12.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine?

The InChIKey is KTLATICGJRMBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H96O2S.C55H34N6.C54H36N4.C49H30N2.C45H30N6.C30H30N4O2.C21H15N3/c1-15-17-19-21-23-25-43-81-73-51-71-72-52-74(82-44-26-24-22-20-18-16-2)70(64-49-61(57-31-39-67(40-32-57)79(9,10)11)46-62(50-64)58-33-41-68(42-34-58)80(12,13)14)54-76(72)83-75(71)53-69(73)63-47-59(55-27-35-65(36-28-55)77(3,4)5)45-60(48-63)56-29-37-66(38-30-56)78(6,7)8;1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-27-25-31(50-45-21-9-3-15-35(45)36-16-4-10-22-46(36)50)29-39(43)40-30-32(26-28-44(40)49)51-47-23-11-5-17-37(47)38-18-6-12-24-48(38)51;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h27-42,45-54H,15-26,43-44H2,1-14H3;1-34H;1-36H;2*1-30H;7-18H,1-6H3;1-15H.

What are the key properties of 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine?

3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine has a molecular weight of 4731.08 g/mol, XLogP of 87.09, 49 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4,6-triphenyl-1,3,5-triazine is sourced from PubChem (CID 159235646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).