2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole

C69H43N7 — CID 134598155

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 134598155) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
• PubChem CID: 134598155
• Molecular Formula: C69H43N7
• Molecular Weight: 970.15 g/mol
• Exact Mass: 969.36
• IUPAC Name: 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c(ccc6c7ccccc7n(-c7ccc8c(c7)c7c(ccc9c%10ccccc%10n(-c%10ccccc%10)c97)n8-c7ccccc7)c65)n(-c5ccccc5)c34)n2)cc1
• InChI: InChI=1S/C69H43N7/c1-6-21-44(22-7-1)67-70-68(45-23-8-2-9-24-45)72-69(71-67)55-34-20-33-54-62-61(75(64(54)55)48-29-14-5-15-30-48)42-39-52-51-32-17-19-36-58(51)76(65(52)62)49-37-40-59-56(43-49)63-60(73(59)46-25-10-3-11-26-46)41-38-53-50-31-16-18-35-57(50)74(66(53)63)47-27-12-4-13-28-47/h1-43H
• InChIKey: HIKAAUGTKWPGSZ-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.15
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole (CID 134598155) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole.

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

The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c(ccc6c7ccccc7n(-c7ccc8c(c7)c7c(ccc9c%10ccccc%10n(-c%10ccccc%10)c97)n8-c7ccccc7)c65)n(-c5ccccc5)c34)n2)cc1.

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

The InChIKey is HIKAAUGTKWPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-6-21-44(22-7-1)67-70-68(45-23-8-2-9-24-45)72-69(71-67)55-34-20-33-54-62-61(75(64(54)55)48-29-14-5-15-30-48)42-39-52-51-32-17-19-36-58(51)76(65(52)62)49-37-40-59-56(43-49)63-60(73(59)46-25-10-3-11-26-46)41-38-53-50-31-16-18-35-57(50)74(66(53)63)47-27-12-4-13-28-47/h1-43H.

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

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134598155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).