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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

C299H432N19+7 — CID 157246193

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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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.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.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-c1cccc(-c2ccccc2C)c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H20.2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C17H16N.C16H18N2.C13H10.C12H16N2.C11H13N2.C7H10N.C7H8.34C2H6/c1-15-9-4-6-11-18(15)20-13-8-14-21(17(20)3)19-12-7-5-10-16(19)2;1-14-8-3-5-11-17(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;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;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;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;34*1-2/h4-14H,1-3H3;2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;4-11,13H,1-3H3;1-8H,9H2;4-9,11H,1-3H3;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;34*1-2H3/q;3*+1;;;;2*+1;;;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;13-;;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0....0.0...................................../s1
InChIKeyQHGJFKRKEXZVPN-ZFMPZYSHSA-N
MW4292.88 g/mol
LogP87.44
Rot. Bonds11

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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 157246193) has the molecular formula C299H432N19+7 and a molecular weight of 4292.88 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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
PubChem CID157246193
Molecular FormulaC299H432N19+7
Molecular Weight4292.88 g/mol
Exact Mass4289.43
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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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.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.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-c1cccc(-c2ccccc2C)c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H20.2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C17H16N.C16H18N2.C13H10.C12H16N2.C11H13N2.C7H10N.C7H8.34C2H6/c1-15-9-4-6-11-18(15)20-13-8-14-21(17(20)3)19-12-7-5-10-16(19)2;1-14-8-3-5-11-17(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;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;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;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;34*1-2/h4-14H,1-3H3;2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;4-11,13H,1-3H3;1-8H,9H2;4-9,11H,1-3H3;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;34*1-2H3/q;3*+1;;;;2*+1;;;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;13-;;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0....0.0...................................../s1
InChIKeyQHGJFKRKEXZVPN-ZFMPZYSHSA-N
XLogP87.44
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004292.88
LogP ≤ 587.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine with MolForge

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Related Compounds

2-Methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
CID 91366751
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
7,8-Diethyl-8-methyl-7-[2-[9-methyl-3-(5-methylpyrido[2,3-b]pyrazin-5-ium-6-yl)carbazol-2-yl]ethyl]-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene
CID 123746536
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
2-[2-[6-[2-[2-[6-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-fluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-7,8-dimethylquinoline
CID 124036193
13-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
CID 134274450
3-Fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137391920
N-[8-[3-[3-[bis(8-fluoro-3-methylimidazo[2,1-a]isoquinolin-2-yl)amino]-5-tert-butylphenyl]-3-methylbutyl]-3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-yl]-N-(2-tert-butylpyrimidin-5-yl)-3-(2,2-dimethylpropyl)-8-methylimidazo[2,1-a]isoquinolin-2-amine
CID 144497952
2-(1,2-Diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(1-phenylisoquinoline);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157078080
9-[4-(4-Pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole
CID 157082344
CID 157083796
CID 157083796

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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (CID 157246193) 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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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.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.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2cc1C.Cc1ccccc1-c1ccc2ccccc2c1C.Cc1ccccc1-c1cccc(-c2ccccc2C)c1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.c1ccc2c(c1)Cc1ccccc1-2.
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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The InChIKey is QHGJFKRKEXZVPN-ZFMPZYSHSA-N. The full InChI is InChI=1S/C21H20.2C19H17N2.C18H18N3.C18H18N2.2C18H16.C17H15N2.C17H16N.C16H18N2.C13H10.C12H16N2.C11H13N2.C7H10N.C7H8.34C2H6/c1-15-9-4-6-11-18(15)20-13-8-14-21(17(20)3)19-12-7-5-10-16(19)2;1-14-8-3-5-11-17(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;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;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;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;34*1-2/h4-14H,1-3H3;2*3-13H,1-2H3;4-12H,1-3H3;4-11,13H,1-3H3;2*3-12H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;4-11,13H,1-3H3;1-8H,9H2;4-9,11H,1-3H3;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;34*1-2H3/q;3*+1;;;;2*+1;;;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;;13-;;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0....0.0...................................../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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine has a molecular weight of 4292.88 g/mol, XLogP of 87.44, 11 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;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1,3-bis(2-methylphenyl)benzene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;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;toluene;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is sourced from PubChem (CID 157246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).