9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole

C57H34N4O2 — CID 176773417

About 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole

9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole (PubChem CID 176773417) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
• PubChem CID: 176773417
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccccc5-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)46-31-39(34-53-54(46)45-22-10-14-26-50(45)62-53)57-59-55(36-17-5-2-6-18-36)58-56(60-57)38-28-30-44-43-29-27-37(32-51(43)63-52(44)33-38)40-19-7-11-23-47(40)61-48-24-12-8-20-41(48)42-21-9-13-25-49(42)61/h1-34H
• InChIKey: XFQPDDOLOZTNPX-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-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole (CID 176773417) is 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole.

What is the SMILES notation for 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole?

The canonical SMILES for 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccccc5-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.

What is the InChIKey of 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole?

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

What are the key properties of 9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole?

9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]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-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole is sourced from PubChem (CID 176773417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).