9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

C214H308N17+5 — CID 159064397

IUPAC9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C16H18N2.C12H16N2.C11H13N2.24C2H6/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-7-6-9-15-14-8-4-5-10-16(14)21(17(13)15)18-19(2)11-12-20(18)3;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-13-7-3-6-10-17(13)18-12-16-9-5-4-8-15(16)11-14(18)2;1-13-7-3-5-9-16(13)18-12-11-15-8-4-6-10-17(15)14(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;24*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;24*1-2H3/q3*+1;;;;+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;;;;13-;11-;;;;;;;;;;;;;;;;;;;;;;;;;/m...0...00........................./s1
InChIKeyCKDPBXZNBFDKOL-BZCDGDLKSA-N
MW3118.94 g/mol
LogP61.52
Rot. Bonds8

About 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 159064397) has the molecular formula C214H308N17+5 and a molecular weight of 3118.94 g/mol. Its IUPAC name is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.

Molecular Properties

Compound Name9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
PubChem CID159064397
Molecular FormulaC214H308N17+5
Molecular Weight3118.94 g/mol
Exact Mass3116.46
IUPAC Name9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C16H18N2.C12H16N2.C11H13N2.24C2H6/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-7-6-9-15-14-8-4-5-10-16(14)21(17(13)15)18-19(2)11-12-20(18)3;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-13-7-3-6-10-17(13)18-12-16-9-5-4-8-15(16)11-14(18)2;1-13-7-3-5-9-16(13)18-12-11-15-8-4-6-10-17(15)14(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;24*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;24*1-2H3/q3*+1;;;;+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;;;;13-;11-;;;;;;;;;;;;;;;;;;;;;;;;;/m...0...00........................./s1
InChIKeyCKDPBXZNBFDKOL-BZCDGDLKSA-N
XLogP61.52
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003118.94
LogP ≤ 561.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine with MolForge

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Related Compounds

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 158096907
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 159956320
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;propane;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 158234366
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1,5,6,10-tetramethyl-5H-imidazo[1,2-c]quinazolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 162027437
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 159940419
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;(3S)-3-methyl-2,3-dihydroimidazo[1,5-f]phenanthridine;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 161185543
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-3H-pyrazole;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 161407305
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 158608239
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;bis(1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium);ethane;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 159029368
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(2-methylphenyl)carbazole;1-methyl-2-(2-methylphenyl)-3-phenylpyrazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 161128781
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
CID 159916807
2,5-dimethyl-3H-imidazo[1,5-f]phenanthridine;9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-3-(2-methylphenyl)-2H-benzimidazole;1-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 158586323

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The IUPAC name of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (CID 159064397) is 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.
What is the SMILES notation for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The canonical SMILES for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The InChIKey is CKDPBXZNBFDKOL-BZCDGDLKSA-N. The full InChI is InChI=1S/2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C16H18N2.C12H16N2.C11H13N2.24C2H6/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-7-6-9-15-14-8-4-5-10-16(14)21(17(13)15)18-19(2)11-12-20(18)3;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-13-7-3-6-10-17(13)18-12-16-9-5-4-8-15(16)11-14(18)2;1-13-7-3-5-9-16(13)18-12-11-15-8-4-6-10-17(15)14(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;24*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;24*1-2H3/q3*+1;;;;+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;;;;13-;11-;;;;;;;;;;;;;;;;;;;;;;;;;/m...0...00........................./s1.
What are the key properties of 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine has a molecular weight of 3118.94 g/mol, XLogP of 61.52, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)naphthalene;2-methyl-3-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is sourced from PubChem (CID 159064397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).