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

C55H33N5O — CID 166700691

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

5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 166700691) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 166700691
• Molecular Formula: C55H33N5O
• Molecular Weight: 779.90 g/mol
• Exact Mass: 779.27
• IUPAC Name: 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cc4c(cc3-n3c5ccccc5c5cc6ccccc6cc53)oc3ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C55H33N5O/c1-3-16-34(17-4-1)53-56-54(41-25-15-28-47-52(41)40-24-10-13-27-46(40)59(47)37-20-5-2-6-21-37)58-55(57-53)44-32-43-39-23-11-14-29-50(39)61-51(43)33-49(44)60-45-26-12-9-22-38(45)42-30-35-18-7-8-19-36(35)31-48(42)60/h1-33H
• InChIKey: AVNFGQXLTLRLMU-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-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?

The IUPAC name of 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 166700691) is 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc4c(cc3-n3c5ccccc5c5cc6ccccc6cc53)oc3ccccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

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

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

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

5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 166700691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).