N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

C60H39F3N2O — CID 137416635

About N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (PubChem CID 137416635) has the molecular formula C60H39F3N2O and a molecular weight of 860.98 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
• PubChem CID: 137416635
• Molecular Formula: C60H39F3N2O
• Molecular Weight: 860.98 g/mol
• Exact Mass: 860.30
• IUPAC Name: N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
• SMILES: Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C(F)(F)F)cccc23)c(C)c1
• InChI: InChI=1S/C60H39F3N2O/c1-36-30-33-50(37(2)34-36)65(53-29-15-23-44-43-22-14-26-48(60(61,62)63)57(43)66-58(44)53)54-35-49-56(42-21-9-8-20-41(42)54)55-40-19-7-6-16-38(40)31-32-47(55)59(49)45-24-10-12-27-51(45)64(39-17-4-3-5-18-39)52-28-13-11-25-46(52)59/h3-35H,1-2H3
• InChIKey: YZZKEPMDGOIKPV-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.98
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The IUPAC name of N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (CID 137416635) is N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

What is the SMILES notation for N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The canonical SMILES for N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C(F)(F)F)cccc23)c(C)c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The InChIKey is YZZKEPMDGOIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39F3N2O/c1-36-30-33-50(37(2)34-36)65(53-29-15-23-44-43-22-14-26-48(60(61,62)63)57(43)66-58(44)53)54-35-49-56(42-21-9-8-20-41(42)54)55-40-19-7-6-16-38(40)31-32-47(55)59(49)45-24-10-12-27-51(45)64(39-17-4-3-5-18-39)52-28-13-11-25-46(52)59/h3-35H,1-2H3.

What are the key properties of N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine has a molecular weight of 860.98 g/mol, XLogP of 17.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-10-phenyl-N-[6-(trifluoromethyl)dibenzofuran-4-yl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is sourced from PubChem (CID 137416635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).