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

C57H34N4O2 — CID 170228264

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

9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 170228264) has the molecular formula C57H34N4O2 and a molecular weight of 806.92 g/mol. Its IUPAC name is 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
• PubChem CID: 170228264
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.92 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-2-15-35(16-3-1)36-29-31-37(32-30-36)55-58-56(60-57(59-55)45-23-14-28-52-53(45)44-22-9-13-27-51(44)62-52)43-21-5-4-17-39(43)46-33-38(34-47-42-20-8-12-26-50(42)63-54(46)47)61-48-24-10-6-18-40(48)41-19-7-11-25-49(41)61/h1-34H
• InChIKey: HWJSGBIHTGMMAM-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	806.92
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole (CID 170228264) is 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

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

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

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

9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 806.92 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-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 170228264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).