5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole

C60H38N8 — CID 169037308

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 169037308) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
• PubChem CID: 169037308
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)cc4)n3)cc2)cc1
• InChI: InChI=1S/C60H38N8/c1-5-17-39(18-6-1)40-29-31-44(32-30-40)56-61-55(41-19-7-2-8-20-41)62-57(63-56)45-33-35-46(36-34-45)67-51-27-15-13-25-47(51)49-37-50-48-26-14-16-28-52(48)68(54(50)38-53(49)67)60-65-58(42-21-9-3-10-22-42)64-59(66-60)43-23-11-4-12-24-43/h1-38H
• InChIKey: JVDOVLBRUIDKPR-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.02
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (CID 169037308) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)cc4)n3)cc2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?

The InChIKey is JVDOVLBRUIDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-5-17-39(18-6-1)40-29-31-44(32-30-40)56-61-55(41-19-7-2-8-20-41)62-57(63-56)45-33-35-46(36-34-45)67-51-27-15-13-25-47(51)49-37-50-48-26-14-16-28-52(48)68(54(50)38-53(49)67)60-65-58(42-21-9-3-10-22-42)64-59(66-60)43-23-11-4-12-24-43/h1-38H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 871.02 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 169037308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).