5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole

C55H33N5O — CID 164714946

About 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole

5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164714946) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 164714946
• Molecular Formula: C55H33N5O
• Molecular Weight: 779.90 g/mol
• Exact Mass: 779.27
• IUPAC Name: 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C55H33N5O/c1-3-15-34(16-4-1)53-56-54(37-27-28-46-42(32-37)39-21-9-12-24-44(39)59(46)38-19-5-2-6-20-38)58-55(57-53)52-47(29-30-50-51(52)41-23-11-14-26-49(41)61-50)60-45-25-13-10-22-40(45)43-31-35-17-7-8-18-36(35)33-48(43)60/h1-33H
• InChIKey: NLVQKGJLWZELNX-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.90
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 164714946) is 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)n2)cc1.

What is the InChIKey of 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?

The InChIKey is NLVQKGJLWZELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-3-15-34(16-4-1)53-56-54(37-27-28-46-42(32-37)39-21-9-12-24-44(39)59(46)38-19-5-2-6-20-38)58-55(57-53)52-47(29-30-50-51(52)41-23-11-14-26-49(41)61-50)60-45-25-13-10-22-40(45)43-31-35-17-7-8-18-36(35)33-48(43)60/h1-33H.

What are the key properties of 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?

5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 779.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164714946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).