5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole

C59H33N5OS — CID 163765583

About 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole

5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 163765583) has the molecular formula C59H33N5OS and a molecular weight of 860.01 g/mol. Its IUPAC name is 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 163765583
• Molecular Formula: C59H33N5OS
• Molecular Weight: 860.01 g/mol
• Exact Mass: 859.24
• IUPAC Name: 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)c3oc4ccccc4c3c2c1
• InChI: InChI=1S/C59H33N5OS/c1-2-15-35-32-51-46(30-34(35)14-1)40-18-5-8-23-48(40)63(51)37-29-28-36-31-47(55-54(45(36)33-37)43-20-6-11-26-52(43)65-55)58-60-57(44-22-13-21-42-41-19-7-12-27-53(41)66-56(42)44)61-59(62-58)64-49-24-9-3-16-38(49)39-17-4-10-25-50(39)64/h1-33H
• InChIKey: MBZHSGBLXFLLJS-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.01
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 163765583) is 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)c3oc4ccccc4c3c2c1.

What is the InChIKey of 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?

The InChIKey is MBZHSGBLXFLLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N5OS/c1-2-15-35-32-51-46(30-34(35)14-1)40-18-5-8-23-48(40)63(51)37-29-28-36-31-47(55-54(45(36)33-37)43-20-6-11-26-52(43)65-55)58-60-57(44-22-13-21-42-41-19-7-12-27-53(41)66-56(42)44)61-59(62-58)64-49-24-9-3-16-38(49)39-17-4-10-25-50(39)64/h1-33H.

What are the key properties of 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?

5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 860.01 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 163765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).