7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

C70H43N5O — CID 168783890

About 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 168783890) has the molecular formula C70H43N5O and a molecular weight of 970.15 g/mol. Its IUPAC name is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 168783890
• Molecular Formula: C70H43N5O
• Molecular Weight: 970.15 g/mol
• Exact Mass: 969.35
• IUPAC Name: 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4-c4ccc6c7ccccc7n(-c7ccccc7)c6c4C5)ccc3-c3cccc4oc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c34)n2)cc1
• InChI: InChI=1S/C70H43N5O/c1-5-19-43(20-6-1)68-71-69(44-21-7-2-8-22-44)73-70(72-68)59-41-45(49-30-17-23-46-42-58-54(63(46)49)37-38-55-51-28-13-15-32-60(51)74(65(55)58)47-24-9-3-10-25-47)35-36-50(59)53-31-18-34-62-64(53)57-40-39-56-52-29-14-16-33-61(52)75(66(56)67(57)76-62)48-26-11-4-12-27-48/h1-41H,42H2
• InChIKey: IAPPQKMQYJYJML-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.15
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 168783890) is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4-c4ccc6c7ccccc7n(-c7ccccc7)c6c4C5)ccc3-c3cccc4oc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c34)n2)cc1.

What is the InChIKey of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?

The InChIKey is IAPPQKMQYJYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5O/c1-5-19-43(20-6-1)68-71-69(44-21-7-2-8-22-44)73-70(72-68)59-41-45(49-30-17-23-46-42-58-54(63(46)49)37-38-55-51-28-13-15-32-60(51)74(65(55)58)47-24-9-3-10-25-47)35-36-50(59)53-31-18-34-62-64(53)57-40-39-56-52-29-14-16-33-61(52)75(66(56)67(57)76-62)48-26-11-4-12-27-48/h1-41H,42H2.

What are the key properties of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?

7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(11-phenyl-12H-indeno[2,1-a]carbazol-4-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 168783890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).