11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C62H39N5O — CID 153459883

About 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 153459883) has the molecular formula C62H39N5O and a molecular weight of 870.03 g/mol. Its IUPAC name is 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 153459883
• Molecular Formula: C62H39N5O
• Molecular Weight: 870.03 g/mol
• Exact Mass: 869.32
• IUPAC Name: 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cnc3-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C62H39N5O/c1-6-20-40(21-7-1)46-31-18-32-47(41-22-8-2-9-23-41)55(46)44-38-52(62-65-60(42-24-10-3-11-25-42)64-61(66-62)43-26-12-4-13-27-43)57(63-39-44)51-34-19-33-48-49-36-37-54-56(59(49)68-58(48)51)50-30-16-17-35-53(50)67(54)45-28-14-5-15-29-45/h1-39H
• InChIKey: RAILWLVGFXKYNA-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.03
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 153459883) is 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cnc3-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is RAILWLVGFXKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5O/c1-6-20-40(21-7-1)46-31-18-32-47(41-22-8-2-9-23-41)55(46)44-38-52(62-65-60(42-24-10-3-11-25-42)64-61(66-62)43-26-12-4-13-27-43)57(63-39-44)51-34-19-33-48-49-36-37-54-56(59(49)68-58(48)51)50-30-16-17-35-53(50)67(54)45-28-14-5-15-29-45/h1-39H.

What are the key properties of 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 870.03 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 153459883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).