5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]

C59H33F3N4O — CID 155159941

About 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]

5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] (PubChem CID 155159941) has the molecular formula C59H33F3N4O and a molecular weight of 870.93 g/mol. Its IUPAC name is 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole].

Molecular Properties

• Compound Name: 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
• PubChem CID: 155159941
• Molecular Formula: C59H33F3N4O
• Molecular Weight: 870.93 g/mol
• Exact Mass: 870.26
• IUPAC Name: 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C59H33F3N4O/c60-59(61,62)46-33-42(57-64-55(34-17-3-1-4-18-34)63-56(65-57)35-19-5-2-6-20-35)54-51(41-25-11-16-30-49(41)67-54)53(46)66-47-29-15-10-24-40(47)50-48(66)32-31-39-38-23-9-14-28-45(38)58(52(39)50)43-26-12-7-21-36(43)37-22-8-13-27-44(37)58/h1-33H
• InChIKey: PQMBDBIPGVDNRA-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.93
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?

The IUPAC name of 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] (CID 155159941) is 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole].

What is the SMILES notation for 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?

The canonical SMILES for 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C31c2ccccc2-c2ccccc21.

What is the InChIKey of 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?

The InChIKey is PQMBDBIPGVDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33F3N4O/c60-59(61,62)46-33-42(57-64-55(34-17-3-1-4-18-34)63-56(65-57)35-19-5-2-6-20-35)54-51(41-25-11-16-30-49(41)67-54)53(46)66-47-29-15-10-24-40(47)50-48(66)32-31-39-38-23-9-14-28-45(38)58(52(39)50)43-26-12-7-21-36(43)37-22-8-13-27-44(37)58/h1-33H.

What are the key properties of 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?

5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] has a molecular weight of 870.93 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] is sourced from PubChem (CID 155159941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).