5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C59H33N5OS — CID 164714702

About 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 164714702) has the molecular formula C59H33N5OS and a molecular weight of 860.01 g/mol. Its IUPAC name is 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• PubChem CID: 164714702
• Molecular Formula: C59H33N5OS
• Molecular Weight: 860.01 g/mol
• Exact Mass: 859.24
• IUPAC Name: 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)c2c(c1)oc1c3ccccc3ccc12
• InChI: InChI=1S/C59H33N5OS/c1-2-16-36-31-51-46(30-35(36)15-1)41-20-7-9-24-48(41)63(51)37-32-47(54-44-29-28-34-14-3-4-17-38(34)55(44)65-52(54)33-37)58-60-57(45-23-13-22-43-42-21-8-12-27-53(42)66-56(43)45)61-59(62-58)64-49-25-10-5-18-39(49)40-19-6-11-26-50(40)64/h1-33H
• InChIKey: KLRSTLHFXGQCJU-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-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The IUPAC name of 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 164714702) is 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The canonical SMILES for 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)c2c(c1)oc1c3ccccc3ccc12.

What is the InChIKey of 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

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

What are the key properties of 5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

5-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-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-[7-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 164714702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).