12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole

C114H66N10O3S — CID 161021857

About 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole

12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 161021857) has the molecular formula C114H66N10O3S and a molecular weight of 1655.92 g/mol. Its IUPAC name is 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 161021857
• Molecular Formula: C114H66N10O3S
• Molecular Weight: 1655.92 g/mol
• Exact Mass: 1654.50
• IUPAC Name: 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11oc%10c98)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11oc%10c98)ccc76)cc5c4c3)n2)cc1
• InChI: InChI=1S/C57H33N5O2.C57H33N5OS/c1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-29-51-45(31-36)46-33-37(25-30-52(46)63-51)61-47-20-10-8-18-40(47)44-32-38(24-28-49(44)61)62-48-21-11-7-17-39(48)42-26-27-43-41-19-9-12-22-50(41)64-54(43)53(42)62;1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-29-51-45(31-36)46-33-37(25-30-52(46)64-51)61-47-20-10-8-18-40(47)44-32-38(24-28-49(44)61)62-48-21-11-7-17-39(48)42-26-27-43-41-19-9-12-22-50(41)63-54(43)53(42)62/h2*1-33H
• InChIKey: TYMDBRGRTKHCNG-UHFFFAOYSA-N
• XLogP: 30.20
• TPSA: 136.48 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.92
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole (CID 161021857) is 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11oc%10c98)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11oc%10c98)ccc76)cc5c4c3)n2)cc1.

What is the InChIKey of 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is TYMDBRGRTKHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2.C57H33N5OS/c1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-29-51-45(31-36)46-33-37(25-30-52(46)63-51)61-47-20-10-8-18-40(47)44-32-38(24-28-49(44)61)62-48-21-11-7-17-39(48)42-26-27-43-41-19-9-12-22-50(41)64-54(43)53(42)62;1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-29-51-45(31-36)46-33-37(25-30-52(46)64-51)61-47-20-10-8-18-40(47)44-32-38(24-28-49(44)61)62-48-21-11-7-17-39(48)42-26-27-43-41-19-9-12-22-50(41)63-54(43)53(42)62/h2*1-33H.

What are the key properties of 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole?

12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1655.92 g/mol, XLogP of 30.20, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 161021857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).