12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole

C63H37N5O2 — CID 168721837

About 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole

12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 168721837) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 168721837
• Molecular Formula: C63H37N5O2
• Molecular Weight: 896.02 g/mol
• Exact Mass: 895.29
• IUPAC Name: 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5c(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cccc5c34)n2)cc1
• InChI: InChI=1S/C63H37N5O2/c1-4-17-38(18-5-1)61-64-62(39-19-6-2-7-20-39)66-63(65-61)49-35-32-42(40-31-36-55-50(37-40)45-25-12-15-30-54(45)69-55)60-56(49)48-26-16-29-53(59(48)70-60)68-52-28-14-11-24-44(52)47-34-33-46-43-23-10-13-27-51(43)67(57(46)58(47)68)41-21-8-3-9-22-41/h1-37H
• InChIKey: LGOXQSQEPAUWCX-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.02
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole (CID 168721837) is 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5c(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cccc5c34)n2)cc1.

What is the InChIKey of 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is LGOXQSQEPAUWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O2/c1-4-17-38(18-5-1)61-64-62(39-19-6-2-7-20-39)66-63(65-61)49-35-32-42(40-31-36-55-50(37-40)45-25-12-15-30-54(45)69-55)60-56(49)48-26-16-29-53(59(48)70-60)68-52-28-14-11-24-44(52)47-34-33-46-43-23-10-13-27-51(43)67(57(46)58(47)68)41-21-8-3-9-22-41/h1-37H.

What are the key properties of 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole?

12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 896.02 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 168721837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).