8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium

C117H90F6N16+4 — CID 159838770

IUPAC8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
SMILESC(=C/[n+]1cc2ccccc2[nH]1)\c1ccccc1.CC1(C)c2ccccc2-c2n[nH]c3cccc1c23.FC(F)(F)c1cccc(-[n+]2cc3ccccc3[nH]2)c1.FC(F)(F)c1cccc2c1ccc1c3ccccc3[nH][n+]21.c1ccc(-[n+]2cc3ccccc3[nH]2)cc1.c1ccc(-c2n[nH]c3ccccc23)cc1.c1ccc(-n2ncc3c4ccccc4ccc32)cc1.c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C17H12N2.C16H9F3N2.C16H14N2.C15H12N2.C14H9F3N2.3C13H10N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19;17-16(18,19)12-5-3-7-14-10(12)8-9-15-11-4-1-2-6-13(11)20-21(14)15;1-16(2)11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-18-15;1-2-6-13(7-3-1)10-11-17-12-14-8-4-5-9-15(14)16-17;15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18-19;1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-12H;1-9H;3-9H,1-2H3,(H,17,18);1-12H;1-9H;2*1-10H;1-9H,(H,14,15)/p+4/b;;;11-10+;;;;
InChIKeyIKGAEMLHQVFYKY-FPVKHYPESA-R
MW1834.11 g/mol
LogP27.37
Rot. Bonds7

About 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium

8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium (PubChem CID 159838770) has the molecular formula C117H90F6N16+4 and a molecular weight of 1834.11 g/mol. Its IUPAC name is 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium.

Molecular Properties

Compound Name8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
PubChem CID159838770
Molecular FormulaC117H90F6N16+4
Molecular Weight1834.11 g/mol
Exact Mass1832.74
IUPAC Name8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
SMILESC(=C/[n+]1cc2ccccc2[nH]1)\c1ccccc1.CC1(C)c2ccccc2-c2n[nH]c3cccc1c23.FC(F)(F)c1cccc(-[n+]2cc3ccccc3[nH]2)c1.FC(F)(F)c1cccc2c1ccc1c3ccccc3[nH][n+]21.c1ccc(-[n+]2cc3ccccc3[nH]2)cc1.c1ccc(-c2n[nH]c3ccccc23)cc1.c1ccc(-n2ncc3c4ccccc4ccc32)cc1.c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C17H12N2.C16H9F3N2.C16H14N2.C15H12N2.C14H9F3N2.3C13H10N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19;17-16(18,19)12-5-3-7-14-10(12)8-9-15-11-4-1-2-6-13(11)20-21(14)15;1-16(2)11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-18-15;1-2-6-13(7-3-1)10-11-17-12-14-8-4-5-9-15(14)16-17;15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18-19;1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-12H;1-9H;3-9H,1-2H3,(H,17,18);1-12H;1-9H;2*1-10H;1-9H,(H,14,15)/p+4/b;;;11-10+;;;;
InChIKeyIKGAEMLHQVFYKY-FPVKHYPESA-R
XLogP27.37
TPSA171.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.11
LogP ≤ 527.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium with MolForge

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Related Compounds

N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739
7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 153521548
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)aniline
CID 164610379
7-(1H-indazol-5-yl)-1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 153521526
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012306
9-methyl-3-pentyl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-yl]carbazole
CID 126725924
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137038629
N-[3-[(1Z)-1-[5-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-2-methyl-1H-pyrrol-3-yl]buta-1,3-dienyl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137087209
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazole
CID 137088518
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
CID 137088856
3-(4-cyclopenta-1,4-dien-1-yl-1H-indol-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole
CID 137088895
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137103285

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium?
The IUPAC name of 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium (CID 159838770) is 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium.
What is the SMILES notation for 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium?
The canonical SMILES for 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium is C(=C/[n+]1cc2ccccc2[nH]1)\c1ccccc1.CC1(C)c2ccccc2-c2n[nH]c3cccc1c23.FC(F)(F)c1cccc(-[n+]2cc3ccccc3[nH]2)c1.FC(F)(F)c1cccc2c1ccc1c3ccccc3[nH][n+]21.c1ccc(-[n+]2cc3ccccc3[nH]2)cc1.c1ccc(-c2n[nH]c3ccccc23)cc1.c1ccc(-n2ncc3c4ccccc4ccc32)cc1.c1ccc(-n2ncc3ccccc32)cc1.
What is the InChIKey of 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium?
The InChIKey is IKGAEMLHQVFYKY-FPVKHYPESA-R. The full InChI is InChI=1S/C17H12N2.C16H9F3N2.C16H14N2.C15H12N2.C14H9F3N2.3C13H10N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19;17-16(18,19)12-5-3-7-14-10(12)8-9-15-11-4-1-2-6-13(11)20-21(14)15;1-16(2)11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-18-15;1-2-6-13(7-3-1)10-11-17-12-14-8-4-5-9-15(14)16-17;15-14(16,17)11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)18-19;1-2-7-12(8-3-1)15-10-11-6-4-5-9-13(11)14-15;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-12H;1-9H;3-9H,1-2H3,(H,17,18);1-12H;1-9H;2*1-10H;1-9H,(H,14,15)/p+4/b;;;11-10+;;;;.
What are the key properties of 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium?
8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium has a molecular weight of 1834.11 g/mol, XLogP of 27.37, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium is sourced from PubChem (CID 159838770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).