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

C57H34N4O2 — CID 168768735

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

9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 168768735) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 168768735
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c34)n2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-4-16-35(17-5-1)45-33-38(34-51-52(45)42-23-11-13-28-49(42)62-51)56-58-55(36-18-6-2-7-19-36)59-57(60-56)44-26-15-29-50-53(44)43-25-14-24-40(54(43)63-50)37-30-31-48-46(32-37)41-22-10-12-27-47(41)61(48)39-20-8-3-9-21-39/h1-34H
• InChIKey: QQDMHOJEBZVMHZ-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 168768735) is 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

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

The canonical SMILES for 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c34)n2)cc1.

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

The InChIKey is QQDMHOJEBZVMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-4-16-35(17-5-1)45-33-38(34-51-52(45)42-23-11-13-28-49(42)62-51)56-58-55(36-18-6-2-7-19-36)59-57(60-56)44-26-15-29-50-53(44)43-25-14-24-40(54(43)63-50)37-30-31-48-46(32-37)41-22-10-12-27-47(41)61(48)39-20-8-3-9-21-39/h1-34H.

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

9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 168768735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).