9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C115H70N8OS2 — CID 161457471

About 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 161457471) has the molecular formula C115H70N8OS2 and a molecular weight of 1644.01 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 161457471
• Molecular Formula: C115H70N8OS2
• Molecular Weight: 1644.01 g/mol
• Exact Mass: 1642.51
• IUPAC Name: 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5ccccc5)cc4)cc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C58H36N4S.C57H34N4OS/c1-3-17-37(18-4-1)50-36-51(38-19-5-2-6-20-38)60-58(59-50)49-34-40(33-48-47-25-11-16-30-56(47)63-57(48)49)39-31-41(61-52-26-12-7-21-43(52)44-22-8-13-27-53(44)61)35-42(32-39)62-54-28-14-9-23-45(54)46-24-10-15-29-55(46)62;1-4-14-37(15-5-1)55-58-56(38-16-6-2-7-17-38)60-57(59-55)47-34-40(33-45-43-21-11-13-23-51(43)63-54(45)47)36-26-24-35(25-27-36)39-28-30-48-46(32-39)52-49(61(48)41-18-8-3-9-19-41)31-29-44-42-20-10-12-22-50(42)62-53(44)52/h1-36H;1-34H
• InChIKey: WBISCBAKWNGVLT-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 92.38 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.01
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 161457471) is 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

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

The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5ccccc5)cc4)cc4c3sc3ccccc34)n2)cc1.

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

The InChIKey is WBISCBAKWNGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4S.C57H34N4OS/c1-3-17-37(18-4-1)50-36-51(38-19-5-2-6-20-38)60-58(59-50)49-34-40(33-48-47-25-11-16-30-56(47)63-57(48)49)39-31-41(61-52-26-12-7-21-43(52)44-22-8-13-27-53(44)61)35-42(32-39)62-54-28-14-9-23-45(54)46-24-10-15-29-55(46)62;1-4-14-37(15-5-1)55-58-56(38-16-6-2-7-17-38)60-57(59-55)47-34-40(33-45-43-21-11-13-23-51(43)63-54(45)47)36-26-24-35(25-27-36)39-28-30-48-46(32-39)52-49(61(48)41-18-8-3-9-19-41)31-29-44-42-20-10-12-22-50(42)62-53(44)52/h1-36H;1-34H.

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

9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1644.01 g/mol, XLogP of 31.28, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 161457471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).