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

C60H38N8 — CID 169037504

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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 169037504) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• PubChem CID: 169037504
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6cc54)n3)cc2)cc1
• InChI: InChI=1S/C60H38N8/c1-5-17-39(18-6-1)40-29-31-44(32-30-40)59-64-58(43-23-11-4-12-24-43)65-60(66-59)68-52-28-16-14-26-48(52)50-37-49-47-25-13-15-27-51(47)67(53(49)38-54(50)68)46-35-33-45(34-36-46)57-62-55(41-19-7-2-8-20-41)61-56(63-57)42-21-9-3-10-22-42/h1-38H
• InChIKey: VFYBWIYVDGLKIG-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 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 169037504) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

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

The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6cc54)n3)cc2)cc1.

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

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

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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]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 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 169037504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).