12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole

C56H36N6 — CID 169037304

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 169037304) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 169037304
• Molecular Formula: C56H36N6
• Molecular Weight: 792.95 g/mol
• Exact Mass: 792.30
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc4)n3)c2)cc1
• InChI: InChI=1S/C56H36N6/c1-4-16-37(17-5-1)41-22-14-23-42(36-41)49-27-15-26-48(57-49)38-30-32-43(33-31-38)61-50-28-12-10-24-44(50)46-34-35-47-45-25-11-13-29-51(45)62(53(47)52(46)61)56-59-54(39-18-6-2-7-19-39)58-55(60-56)40-20-8-3-9-21-40/h1-36H
• InChIKey: UWOLAPQXKLIBCD-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.95
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole (CID 169037304) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc4)n3)c2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

The InChIKey is UWOLAPQXKLIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-16-37(17-5-1)41-22-14-23-42(36-41)49-27-15-26-48(57-49)38-30-32-43(33-31-38)61-50-28-12-10-24-44(50)46-34-35-47-45-25-11-13-29-51(45)62(53(47)52(46)61)56-59-54(39-18-6-2-7-19-39)58-55(60-56)40-20-8-3-9-21-40/h1-36H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169037304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).