(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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

C132H194N12+4 — CID 157099530

IUPAC(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/2C19H17N2.C18H18N2.C17H15N2.C16H18N2.C11H13N2.16C2H6/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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;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;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;16*1-2/h2*3-13H,1-2H3;4-11,13H,1-3H3;3-11H,1-2H3;4-11,13H,1-3H3;3-9H,1-2H3;16*1-2H3/q2*+1;;+1;;+1;;;;;;;;;;;;;;;;/t;;13-;;13-;;;;;;;;;;;;;;;;;/m..0.0................./s1
InChIKeyNPQJIPDRBBITGT-IDKJSRCYSA-N
MW1949.09 g/mol
LogP37.24
Rot. Bonds4

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 157099530) has the molecular formula C132H194N12+4 and a molecular weight of 1949.09 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 CID157099530
Molecular FormulaC132H194N12+4
Molecular Weight1949.09 g/mol
Exact Mass1947.55
IUPAC Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/2C19H17N2.C18H18N2.C17H15N2.C16H18N2.C11H13N2.16C2H6/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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;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;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;16*1-2/h2*3-13H,1-2H3;4-11,13H,1-3H3;3-11H,1-2H3;4-11,13H,1-3H3;3-9H,1-2H3;16*1-2H3/q2*+1;;+1;;+1;;;;;;;;;;;;;;;;/t;;13-;;13-;;;;;;;;;;;;;;;;;/m..0.0................./s1
InChIKeyNPQJIPDRBBITGT-IDKJSRCYSA-N
XLogP37.24
TPSA47.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001949.09
LogP ≤ 537.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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

3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137636605
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
6-[[5-[1-(2-Pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
5-Methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370328
6-[[2-Methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 155563249
2-Methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-8-(trifluoromethyl)quinoline
CID 142464277
7-[2-[5-[4-Amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-propylquinolin-4-amine
CID 156304035
7-[2-[5-[4-Amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]quinolin-2-amine
CID 156304088
N'-[7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethylquinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 156304094
3-[7-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]quinoline
CID 49790981

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 157099530) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 NPQJIPDRBBITGT-IDKJSRCYSA-N. The full InChI is InChI=1S/2C19H17N2.C18H18N2.C17H15N2.C16H18N2.C11H13N2.16C2H6/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;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;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;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;16*1-2/h2*3-13H,1-2H3;4-11,13H,1-3H3;3-11H,1-2H3;4-11,13H,1-3H3;3-9H,1-2H3;16*1-2H3/q2*+1;;+1;;+1;;;;;;;;;;;;;;;;/t;;13-;;13-;;;;;;;;;;;;;;;;;/m..0.0................./s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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?
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 1949.09 g/mol, XLogP of 37.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;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 157099530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).