5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

C57H40N4O — CID 149154937

About 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 149154937) has the molecular formula C57H40N4O and a molecular weight of 796.97 g/mol. Its IUPAC name is 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

• Compound Name: 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
• PubChem CID: 149154937
• Molecular Formula: C57H40N4O
• Molecular Weight: 796.97 g/mol
• Exact Mass: 796.32
• IUPAC Name: 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc5c(c4)oc4ccccc45)-c4ccccc4C64CCCCC4)n3)cc2)cc1
• InChI: InChI=1S/C57H40N4O/c1-4-14-36(15-5-1)37-22-24-39(25-23-37)55-58-54(38-16-6-2-7-17-38)59-56(60-55)40-26-29-50-46(32-40)47-34-49-45(42-18-8-10-20-48(42)57(49)30-12-3-13-31-57)35-51(47)61(50)41-27-28-44-43-19-9-11-21-52(43)62-53(44)33-41/h1-2,4-11,14-29,32-35H,3,12-13,30-31H2
• InChIKey: RNOAHAYGMUXJHP-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.97
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The IUPAC name of 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 149154937) is 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

What is the SMILES notation for 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The canonical SMILES for 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc5c(c4)oc4ccccc45)-c4ccccc4C64CCCCC4)n3)cc2)cc1.

What is the InChIKey of 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The InChIKey is RNOAHAYGMUXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4O/c1-4-14-36(15-5-1)37-22-24-39(25-23-37)55-58-54(38-16-6-2-7-17-38)59-56(60-55)40-26-29-50-46(32-40)47-34-49-45(42-18-8-10-20-48(42)57(49)30-12-3-13-31-57)35-51(47)61(50)41-27-28-44-43-19-9-11-21-52(43)62-53(44)33-41/h1-2,4-11,14-29,32-35H,3,12-13,30-31H2.

What are the key properties of 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 796.97 g/mol, XLogP of 14.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 149154937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).