12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole

C284H166N22O6S6 — CID 164989831

About 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole

12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 164989831) has the molecular formula C284H166N22O6S6 and a molecular weight of 4175.00 g/mol. Its IUPAC name is 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole
• PubChem CID: 164989831
• Molecular Formula: C284H166N22O6S6
• Molecular Weight: 4175.00 g/mol
• Exact Mass: 4171.17
• IUPAC Name: 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6c45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9sc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9sc8c76)cc5c34)n2)cc1
• InChI: InChI=1S/C57H34N4O2.C46H27N3OS.C46H27N3S2.C45H26N4O2.C45H26N4OS.C45H26N4S2/c1-4-15-35(16-5-1)38-31-39(36-17-6-2-7-18-36)33-40(32-38)56-58-55(37-19-8-3-9-20-37)59-57(60-56)46-23-14-26-51-52(46)47-34-41(27-30-50(47)62-51)61-48-24-12-10-21-42(48)44-28-29-45-43-22-11-13-25-49(43)63-54(45)53(44)61;1-3-12-28(13-4-1)37-27-38(29-14-5-2-6-15-29)48-46(47-37)35-18-11-21-42-43(35)36-26-30(22-25-41(36)51-42)49-39-19-9-7-16-31(39)33-23-24-34-32-17-8-10-20-40(32)50-45(34)44(33)49;1-3-12-28(13-4-1)37-27-38(29-14-5-2-6-15-29)48-46(47-37)35-18-11-21-42-43(35)36-26-30(22-25-41(36)50-42)49-39-19-9-7-16-31(39)33-23-24-34-32-17-8-10-20-40(32)51-45(34)44(33)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)50-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)51-42(33)41(32)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)51-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)50-42(33)41(32)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)50-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)51-42(33)41(32)49/h1-34H;2*1-27H;3*1-26H
• InChIKey: GRQPSIPDTGWCEP-UHFFFAOYSA-N
• XLogP: 77.97
• TPSA: 314.66 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 318
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4175.00
LogP ≤ 5	77.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole?

The IUPAC name of 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole (CID 164989831) is 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole.

What is the SMILES notation for 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole?

The canonical SMILES for 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6c45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9sc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccc8c9ccccc9sc8c76)cc5c34)n2)cc1.

What is the InChIKey of 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole?

The InChIKey is GRQPSIPDTGWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2.C46H27N3OS.C46H27N3S2.C45H26N4O2.C45H26N4OS.C45H26N4S2/c1-4-15-35(16-5-1)38-31-39(36-17-6-2-7-18-36)33-40(32-38)56-58-55(37-19-8-3-9-20-37)59-57(60-56)46-23-14-26-51-52(46)47-34-41(27-30-50(47)62-51)61-48-24-12-10-21-42(48)44-28-29-45-43-22-11-13-25-49(43)63-54(45)53(44)61;1-3-12-28(13-4-1)37-27-38(29-14-5-2-6-15-29)48-46(47-37)35-18-11-21-42-43(35)36-26-30(22-25-41(36)51-42)49-39-19-9-7-16-31(39)33-23-24-34-32-17-8-10-20-40(32)50-45(34)44(33)49;1-3-12-28(13-4-1)37-27-38(29-14-5-2-6-15-29)48-46(47-37)35-18-11-21-42-43(35)36-26-30(22-25-41(36)50-42)49-39-19-9-7-16-31(39)33-23-24-34-32-17-8-10-20-40(32)51-45(34)44(33)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)50-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)51-42(33)41(32)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)51-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)50-42(33)41(32)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-18-11-21-39-40(34)35-26-29(22-25-38(35)50-39)49-36-19-9-7-16-30(36)32-23-24-33-31-17-8-10-20-37(31)51-42(33)41(32)49/h1-34H;2*1-27H;3*1-26H.

What are the key properties of 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole?

12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 4175.00 g/mol, XLogP of 77.97, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 164989831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).