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

C57H34N4O2 — CID 176607657

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

9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole (PubChem CID 176607657) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
• PubChem CID: 176607657
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c45)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)55-58-56(38-30-32-51-46(33-38)43-18-7-11-23-50(43)62-51)60-57(59-55)39-29-31-45-53(34-39)63-52-24-12-19-44(54(45)52)42-17-6-10-22-49(42)61-47-20-8-4-15-40(47)41-16-5-9-21-48(41)61/h1-34H
• InChIKey: LTBXOOKCSNTNCE-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-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole (CID 176607657) is 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c45)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.

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

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

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

9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole is sourced from PubChem (CID 176607657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).