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

C56H35N5O — CID 153459819

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 153459819) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 153459819
• Molecular Formula: C56H35N5O
• Molecular Weight: 793.93 g/mol
• Exact Mass: 793.28
• IUPAC Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3-c3ccc4c(c3)oc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C56H35N5O/c1-5-17-36(18-6-1)42-25-13-14-26-43(42)40-31-48(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)53(57-35-40)39-29-30-45-47-33-46-44-27-15-16-28-49(44)61(41-23-11-4-12-24-41)50(46)34-52(47)62-51(45)32-39/h1-35H
• InChIKey: NDFTUKHUPXBBGM-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 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 153459819) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

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

The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)cnc3-c3ccc4c(c3)oc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1.

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

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

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]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 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 153459819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).