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

C230H330N20+8 — CID 158586323

About 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

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 (PubChem CID 158586323) has the molecular formula C230H330N20+8 and a molecular weight of 3375.31 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158586323
• Molecular Formula: C230H330N20+8
• Molecular Weight: 3375.31 g/mol
• Exact Mass: 3372.64
• IUPAC Name: 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
• SMILES: 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.Cc1cccc2c1N1CN(C)C=C1c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)C1.Cc1ccccc1N1CN(C)c2ccccc21
• InChI: InChI=1S/2C19H17N2.C18H18N3.C17H16N2.C17H15N2.3C17H16N.C15H16N2.C11H13N2.C11H14N2.26C2H6/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;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-18(2)11-19(16)17(12)15;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-7-3-4-8-13(12)17-11-16(2)14-9-5-6-10-15(14)17;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-10-5-3-4-6-11(10)13-8-7-12(2)9-13;26*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;3-10H,11H2,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;3-10H,11H2,1-2H3;3-9H,1-2H3;3-8H,9H2,1-2H3;26*1-2H3/q3*+1;;4*+1;;+1
• InChIKey: POVWHOVHBNGTDH-UHFFFAOYSA-N
• XLogP: 63.08
• TPSA: 79.54 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3375.31
LogP ≤ 5	63.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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.Cc1cccc2c1N1CN(C)C=C1c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3n(C)cc[n+]3C)c12.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)C1.Cc1ccccc1N1CN(C)c2ccccc21.

What is the InChIKey of 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?

The InChIKey is POVWHOVHBNGTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N2.C18H18N3.C17H16N2.C17H15N2.3C17H16N.C15H16N2.C11H13N2.C11H14N2.26C2H6/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;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-18(2)11-19(16)17(12)15;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-7-3-4-8-13(12)17-11-16(2)14-9-5-6-10-15(14)17;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-10-5-3-4-6-11(10)13-8-7-12(2)9-13;26*1-2/h2*3-13H,1-2H3;4-12H,1-3H3;3-10H,11H2,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;3-10H,11H2,1-2H3;3-9H,1-2H3;3-8H,9H2,1-2H3;26*1-2H3/q3*+1;;4*+1;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 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?

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 has a molecular weight of 3375.31 g/mol, XLogP of 63.08, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158586323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).