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

C56H35N5O — CID 153459567

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

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 153459567) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

• Compound Name: 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
• PubChem CID: 153459567
• Molecular Formula: C56H35N5O
• Molecular Weight: 793.93 g/mol
• Exact Mass: 793.28
• IUPAC Name: 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3-c3cccc4c3oc3ccc5c6ccccc6n(-c6ccccc6)c5c34)n2)cc1
• InChI: InChI=1S/C56H35N5O/c1-5-18-36(19-6-1)41-26-13-14-27-42(41)39-34-47(56-59-54(37-20-7-2-8-21-37)58-55(60-56)38-22-9-3-10-23-38)51(57-35-39)46-30-17-29-45-50-49(62-53(45)46)33-32-44-43-28-15-16-31-48(43)61(52(44)50)40-24-11-4-12-25-40/h1-35H
• InChIKey: KANQJPJKJHQXSP-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.93
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 153459567) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.

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

The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3-c3cccc4c3oc3ccc5c6ccccc6n(-c6ccccc6)c5c34)n2)cc1.

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

The InChIKey is KANQJPJKJHQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-5-18-36(19-6-1)41-26-13-14-27-42(41)39-34-47(56-59-54(37-20-7-2-8-21-37)58-55(60-56)38-22-9-3-10-23-38)51(57-35-39)46-30-17-29-45-50-49(62-53(45)46)33-32-44-43-28-15-16-31-48(43)61(52(44)50)40-24-11-4-12-25-40/h1-35H.

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

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 793.93 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 153459567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).