5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

C60H36N8O — CID 169036896

About 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (PubChem CID 169036896) has the molecular formula C60H36N8O and a molecular weight of 885.00 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 169036896
• Molecular Formula: C60H36N8O
• Molecular Weight: 885.00 g/mol
• Exact Mass: 884.30
• IUPAC Name: 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C60H36N8O/c1-4-16-37(17-5-1)55-61-56(63-59(62-55)41-30-33-45-44-23-12-15-27-51(44)69-52(45)36-41)40-28-31-42(32-29-40)67-49-26-14-11-24-47(49)53-50(67)35-34-46-43-22-10-13-25-48(43)68(54(46)53)60-65-57(38-18-6-2-7-19-38)64-58(66-60)39-20-8-3-9-21-39/h1-36H
• InChIKey: IRWFNXYXPUMGDE-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 100.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.00
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (CID 169036896) is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

What is the InChIKey of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The InChIKey is IRWFNXYXPUMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N8O/c1-4-16-37(17-5-1)55-61-56(63-59(62-55)41-30-33-45-44-23-12-15-27-51(44)69-52(45)36-41)40-28-31-42(32-29-40)67-49-26-14-11-24-47(49)53-50(67)35-34-46-43-22-10-13-25-48(43)68(54(46)53)60-65-57(38-18-6-2-7-19-38)64-58(66-60)39-20-8-3-9-21-39/h1-36H.

What are the key properties of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 885.00 g/mol, XLogP of 14.49, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 169036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).