10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]

C60H42F6N2O2 — CID 88572643

About 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]

10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane] (PubChem CID 88572643) has the molecular formula C60H42F6N2O2 and a molecular weight of 937.00 g/mol. Its IUPAC name is 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane].

Molecular Properties

• Compound Name: 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]
• PubChem CID: 88572643
• Molecular Formula: C60H42F6N2O2
• Molecular Weight: 937.00 g/mol
• Exact Mass: 936.32
• IUPAC Name: 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]
• SMILES: FC(F)(F)c1ccc(N2c3ccccc3C3(CCCC3)c3ccccc32)c2c1oc1c(-c3cccc4c3oc3c(C(F)(F)F)ccc(N5c6ccccc6C6(CCCC6)c6ccccc65)c34)cccc12
• InChI: InChI=1S/C60H42F6N2O2/c61-59(62,63)43-27-29-49(67-45-23-5-1-19-39(45)57(31-9-10-32-57)40-20-2-6-24-46(40)67)51-37-17-13-15-35(53(37)69-55(43)51)36-16-14-18-38-52-50(30-28-44(60(64,65)66)56(52)70-54(36)38)68-47-25-7-3-21-41(47)58(33-11-12-34-58)42-22-4-8-26-48(42)68/h1-8,13-30H,9-12,31-34H2
• InChIKey: AOPHNYVWAQZNIV-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.00
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]?

The IUPAC name of 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane] (CID 88572643) is 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane].

What is the SMILES notation for 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]?

The canonical SMILES for 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane] is FC(F)(F)c1ccc(N2c3ccccc3C3(CCCC3)c3ccccc32)c2c1oc1c(-c3cccc4c3oc3c(C(F)(F)F)ccc(N5c6ccccc6C6(CCCC6)c6ccccc65)c34)cccc12.

What is the InChIKey of 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]?

The InChIKey is AOPHNYVWAQZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42F6N2O2/c61-59(62,63)43-27-29-49(67-45-23-5-1-19-39(45)57(31-9-10-32-57)40-20-2-6-24-46(40)67)51-37-17-13-15-35(53(37)69-55(43)51)36-16-14-18-38-52-50(30-28-44(60(64,65)66)56(52)70-54(36)38)68-47-25-7-3-21-41(47)58(33-11-12-34-58)42-22-4-8-26-48(42)68/h1-8,13-30H,9-12,31-34H2.

What are the key properties of 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]?

10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane] has a molecular weight of 937.00 g/mol, XLogP of 18.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-[9-spiro[acridine-9,1'-cyclopentane]-10-yl-6-(trifluoromethyl)dibenzofuran-4-yl]-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane] is sourced from PubChem (CID 88572643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).