10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene

C165H110F30N20+10 — CID 157478809

IUPAC10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene
SMILESFC(F)(F)c1cc([N+]2=Cc3cccc4ccn(c34)C2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc([N+]2=Cc3cccc4ccn(c34)C2)cc1.FC(F)(F)c1cccc(C(F)(F)F)c1[N+]1=Cc2cccc3ccn(c23)C1.Fc1cc(F)c(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1F.Fc1cc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cc(F)cc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cccc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccccc1[N+]1=Cc2cccc3ccn(c23)C1
InChIInChI=1S/2C18H11F6N2.C17H12F3N2.C16H9F4N2.C16H10F3N2.3C16H11F2N2.2C16H12FN2/c19-17(20,21)13-5-2-6-14(18(22,23)24)16(13)26-9-12-4-1-3-11-7-8-25(10-26)15(11)12;19-17(20,21)13-6-14(18(22,23)24)8-15(7-13)26-9-12-3-1-2-11-4-5-25(10-26)16(11)12;18-17(19,20)14-4-6-15(7-5-14)22-10-13-3-1-2-12-8-9-21(11-22)16(12)13;17-11-6-12(18)14(20)16(13(11)19)22-7-10-3-1-2-9-4-5-21(8-22)15(9)10;17-12-6-13(18)16(14(19)7-12)21-8-11-3-1-2-10-4-5-20(9-21)15(10)11;17-13-6-14(18)8-15(7-13)20-9-12-3-1-2-11-4-5-19(10-20)16(11)12;17-13-4-5-15(14(18)8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-13-4-5-14(18)15(8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-14-5-2-6-15(9-14)19-10-13-4-1-3-12-7-8-18(11-19)16(12)13;17-14-6-1-2-7-15(14)19-10-13-5-3-4-12-8-9-18(11-19)16(12)13/h2*1-9H,10H2;1-10H,11H2;1-7H,8H2;1-8H,9H2;3*1-9H,10H2;2*1-10H,11H2/q10*+1
InChIKeyOIEBCJITEFTHQR-UHFFFAOYSA-N
MW2942.77 g/mol
LogP40.94
Rot. Bonds10

About 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene

10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene (PubChem CID 157478809) has the molecular formula C165H110F30N20+10 and a molecular weight of 2942.77 g/mol. Its IUPAC name is 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene.

Molecular Properties

Compound Name10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene
PubChem CID157478809
Molecular FormulaC165H110F30N20+10
Molecular Weight2942.77 g/mol
Exact Mass2940.87
IUPAC Name10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene
SMILESFC(F)(F)c1cc([N+]2=Cc3cccc4ccn(c34)C2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc([N+]2=Cc3cccc4ccn(c34)C2)cc1.FC(F)(F)c1cccc(C(F)(F)F)c1[N+]1=Cc2cccc3ccn(c23)C1.Fc1cc(F)c(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1F.Fc1cc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cc(F)cc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cccc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccccc1[N+]1=Cc2cccc3ccn(c23)C1
InChIInChI=1S/2C18H11F6N2.C17H12F3N2.C16H9F4N2.C16H10F3N2.3C16H11F2N2.2C16H12FN2/c19-17(20,21)13-5-2-6-14(18(22,23)24)16(13)26-9-12-4-1-3-11-7-8-25(10-26)15(11)12;19-17(20,21)13-6-14(18(22,23)24)8-15(7-13)26-9-12-3-1-2-11-4-5-25(10-26)16(11)12;18-17(19,20)14-4-6-15(7-5-14)22-10-13-3-1-2-12-8-9-21(11-22)16(12)13;17-11-6-12(18)14(20)16(13(11)19)22-7-10-3-1-2-9-4-5-21(8-22)15(9)10;17-12-6-13(18)16(14(19)7-12)21-8-11-3-1-2-10-4-5-20(9-21)15(10)11;17-13-6-14(18)8-15(7-13)20-9-12-3-1-2-11-4-5-19(10-20)16(11)12;17-13-4-5-15(14(18)8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-13-4-5-14(18)15(8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-14-5-2-6-15(9-14)19-10-13-4-1-3-12-7-8-18(11-19)16(12)13;17-14-6-1-2-7-15(14)19-10-13-5-3-4-12-8-9-18(11-19)16(12)13/h2*1-9H,10H2;1-10H,11H2;1-7H,8H2;1-8H,9H2;3*1-9H,10H2;2*1-10H,11H2/q10*+1
InChIKeyOIEBCJITEFTHQR-UHFFFAOYSA-N
XLogP40.94
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms215
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002942.77
LogP ≤ 540.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene?
The IUPAC name of 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene (CID 157478809) is 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene.
What is the SMILES notation for 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene?
The canonical SMILES for 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene is FC(F)(F)c1cc([N+]2=Cc3cccc4ccn(c34)C2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc([N+]2=Cc3cccc4ccn(c34)C2)cc1.FC(F)(F)c1cccc(C(F)(F)F)c1[N+]1=Cc2cccc3ccn(c23)C1.Fc1cc(F)c(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1F.Fc1cc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cc(F)cc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc(F)c([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccc([N+]2=Cc3cccc4ccn(c34)C2)c(F)c1.Fc1cccc([N+]2=Cc3cccc4ccn(c34)C2)c1.Fc1ccccc1[N+]1=Cc2cccc3ccn(c23)C1.
What is the InChIKey of 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene?
The InChIKey is OIEBCJITEFTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11F6N2.C17H12F3N2.C16H9F4N2.C16H10F3N2.3C16H11F2N2.2C16H12FN2/c19-17(20,21)13-5-2-6-14(18(22,23)24)16(13)26-9-12-4-1-3-11-7-8-25(10-26)15(11)12;19-17(20,21)13-6-14(18(22,23)24)8-15(7-13)26-9-12-3-1-2-11-4-5-25(10-26)16(11)12;18-17(19,20)14-4-6-15(7-5-14)22-10-13-3-1-2-12-8-9-21(11-22)16(12)13;17-11-6-12(18)14(20)16(13(11)19)22-7-10-3-1-2-9-4-5-21(8-22)15(9)10;17-12-6-13(18)16(14(19)7-12)21-8-11-3-1-2-10-4-5-20(9-21)15(10)11;17-13-6-14(18)8-15(7-13)20-9-12-3-1-2-11-4-5-19(10-20)16(11)12;17-13-4-5-15(14(18)8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-13-4-5-14(18)15(8-13)20-9-12-3-1-2-11-6-7-19(10-20)16(11)12;17-14-5-2-6-15(9-14)19-10-13-4-1-3-12-7-8-18(11-19)16(12)13;17-14-6-1-2-7-15(14)19-10-13-5-3-4-12-8-9-18(11-19)16(12)13/h2*1-9H,10H2;1-10H,11H2;1-7H,8H2;1-8H,9H2;3*1-9H,10H2;2*1-10H,11H2/q10*+1.
What are the key properties of 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene?
10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene has a molecular weight of 2942.77 g/mol, XLogP of 40.94, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,6-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[3,5-bis(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3,5-difluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(3-fluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,3,5,6-tetrafluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-[4-(trifluoromethyl)phenyl]-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene;10-(2,4,6-trifluorophenyl)-1-aza-10-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene is sourced from PubChem (CID 157478809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).