5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

C61H39N7 — CID 169037226

About 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 169037226) has the molecular formula C61H39N7 and a molecular weight of 870.03 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
• PubChem CID: 169037226
• Molecular Formula: C61H39N7
• Molecular Weight: 870.03 g/mol
• Exact Mass: 869.33
• IUPAC Name: 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C61H39N7/c1-5-17-40(18-6-1)41-29-31-46(32-30-41)60-64-59(45-23-11-4-12-24-45)65-61(66-60)68-55-28-16-14-26-49(55)51-37-56-50(38-57(51)68)48-25-13-15-27-54(48)67(56)47-35-33-43(34-36-47)53-39-52(42-19-7-2-8-20-42)62-58(63-53)44-21-9-3-10-22-44/h1-39H
• InChIKey: PICPMLKPJYYYDI-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.03
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?

The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 169037226) is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?

The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)cc2)cc1.

What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?

The InChIKey is PICPMLKPJYYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N7/c1-5-17-40(18-6-1)41-29-31-46(32-30-41)60-64-59(45-23-11-4-12-24-45)65-61(66-60)68-55-28-16-14-26-49(55)51-37-56-50(38-57(51)68)48-25-13-15-27-54(48)67(56)47-35-33-43(34-36-47)53-39-52(42-19-7-2-8-20-42)62-58(63-53)44-21-9-3-10-22-44/h1-39H.

What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?

5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 870.03 g/mol, XLogP of 14.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 169037226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).