2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile

C93H71N20+5 — CID 157418573

IUPAC2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)c(C)c(C)c(C)c2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)cc(C)cc2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(cc(C)c(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(ccc(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2cc(C)cc(C)c2C3)c1C#N
InChIInChI=1S/C20H17N4.C19H15N4.3C18H13N4/c1-11-12(2)14(4)20-16(13(11)3)9-23-10-17-15(8-21)18(22-5)6-7-19(17)24(20)23;1-11-7-14-9-22-10-16-15(8-20)17(21-4)5-6-18(16)23(22)19(14)13(3)12(11)2;1-11-6-12(2)14-9-21-10-15-13(8-19)16(20-3)4-5-17(15)22(21)18(14)7-11;1-11-6-12(2)18-13(7-11)9-21-10-15-14(8-19)16(20-3)4-5-17(15)22(18)21;1-11-4-5-13-9-21-10-15-14(8-19)16(20-3)6-7-17(15)22(21)18(13)12(11)2/h6-7,10H,9H2,1-4H3;5-7,10H,9H2,1-3H3;3*4-7,10H,9H2,1-2H3/q5*+1
InChIKeyOOYVZZMITXSVRA-UHFFFAOYSA-N
MW1468.73 g/mol
LogP17.52
Rot. Bonds

About 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile

2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile (PubChem CID 157418573) has the molecular formula C93H71N20+5 and a molecular weight of 1468.73 g/mol. Its IUPAC name is 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile.

Molecular Properties

Compound Name2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile
PubChem CID157418573
Molecular FormulaC93H71N20+5
Molecular Weight1468.73 g/mol
Exact Mass1467.61
IUPAC Name2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)c(C)c(C)c(C)c2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)cc(C)cc2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(cc(C)c(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(ccc(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2cc(C)cc(C)c2C3)c1C#N
InChIInChI=1S/C20H17N4.C19H15N4.3C18H13N4/c1-11-12(2)14(4)20-16(13(11)3)9-23-10-17-15(8-21)18(22-5)6-7-19(17)24(20)23;1-11-7-14-9-22-10-16-15(8-20)17(21-4)5-6-18(16)23(22)19(14)13(3)12(11)2;1-11-6-12(2)14-9-21-10-15-13(8-19)16(20-3)4-5-17(15)22(21)18(14)7-11;1-11-6-12(2)18-13(7-11)9-21-10-15-14(8-19)16(20-3)4-5-17(15)22(18)21;1-11-4-5-13-9-21-10-15-14(8-19)16(20-3)6-7-17(15)22(21)18(13)12(11)2/h6-7,10H,9H2,1-4H3;5-7,10H,9H2,1-3H3;3*4-7,10H,9H2,1-2H3/q5*+1
InChIKeyOOYVZZMITXSVRA-UHFFFAOYSA-N
XLogP17.52
TPSA184.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.73
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile with MolForge

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Related Compounds

2-(3-Fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
CID 157286542
1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)-3H-indazol-2-ide;5-fluoro-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-2-ide;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole
CID 157297927
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-methylpyrazole;deuterium monohydride;5,6-dimethyl-1-propan-2-ylindazole
CID 157488272
(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S,4R)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S,4R)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-5,6-dimethylindazole;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158201496
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;ethane
CID 158750092
3-Tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole
CID 159505353
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5,6-dimethyl-1-propan-2-ylindazole
CID 160159292
1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
CID 160519364
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 160697412
2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole
CID 162287458
2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 167590676
1-[4-[6,12-Diphenyl-2,8-di(pyrazol-1-yl)-11-(4-pyrazol-1-ylphenyl)tetracen-5-yl]phenyl]pyrazole
CID 23542877

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile?
The IUPAC name of 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile (CID 157418573) is 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile.
What is the SMILES notation for 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile?
The canonical SMILES for 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile is [C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)c(C)c(C)c(C)c2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(C)cc(C)cc2C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(cc(C)c(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2c(ccc(C)c2C)C3)c1C#N.[C-]#[N+]c1ccc2c(c[n+]3n2-c2cc(C)cc(C)c2C3)c1C#N.
What is the InChIKey of 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile?
The InChIKey is OOYVZZMITXSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N4.C19H15N4.3C18H13N4/c1-11-12(2)14(4)20-16(13(11)3)9-23-10-17-15(8-21)18(22-5)6-7-19(17)24(20)23;1-11-7-14-9-22-10-16-15(8-20)17(21-4)5-6-18(16)23(22)19(14)13(3)12(11)2;1-11-6-12(2)14-9-21-10-15-13(8-19)16(20-3)4-5-17(15)22(21)18(14)7-11;1-11-6-12(2)18-13(7-11)9-21-10-15-14(8-19)16(20-3)4-5-17(15)22(18)21;1-11-4-5-13-9-21-10-15-14(8-19)16(20-3)6-7-17(15)22(21)18(13)12(11)2/h6-7,10H,9H2,1-4H3;5-7,10H,9H2,1-3H3;3*4-7,10H,9H2,1-2H3/q5*+1.
What are the key properties of 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile?
2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile has a molecular weight of 1468.73 g/mol, XLogP of 17.52, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-6,7-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,8-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-7,9-dimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8,9-tetramethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile;2-isocyano-6,7,8-trimethyl-10H-indazolo[1,2-a]indazol-11-ium-1-carbonitrile is sourced from PubChem (CID 157418573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).