1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine

C100H89N14+5 — CID 159788506

IUPAC1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine
SMILESCc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1.Cc1c[n+](C)c(-c2cc3c(ccc4ccccc43)cc2C)cn1.Cc1c[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)cn1.Cc1cc2ncc3ccccc3c2cc1-c1nccc[n+]1C.Cc1cc[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)n1
InChIInChI=1S/C21H19N2.3C20H18N3.C19H16N3/c1-14-10-17-9-8-16-6-4-5-7-18(16)20(17)11-19(14)21-12-22-15(2)13-23(21)3;1-13-8-15-10-22-19-7-5-4-6-16(19)18(15)9-17(13)20-11-21-14(2)12-23(20)3;1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3;1-13-10-15-12-21-19-7-5-4-6-16(19)18(15)11-17(13)20-22-14(2)8-9-23(20)3;1-13-10-18-17(15-7-4-3-6-14(15)12-21-18)11-16(13)19-20-8-5-9-22(19)2/h4-13H,1-3H3;3*4-12H,1-3H3;3-12H,1-2H3/q5*+1
InChIKeyOMKARKJLXRFRSB-UHFFFAOYSA-N
MW1486.91 g/mol
LogP19.75
Rot. Bonds5

About 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine

1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine (PubChem CID 159788506) has the molecular formula C100H89N14+5 and a molecular weight of 1486.91 g/mol. Its IUPAC name is 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine.

Molecular Properties

Compound Name1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine
PubChem CID159788506
Molecular FormulaC100H89N14+5
Molecular Weight1486.91 g/mol
Exact Mass1485.74
IUPAC Name1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine
SMILESCc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1.Cc1c[n+](C)c(-c2cc3c(ccc4ccccc43)cc2C)cn1.Cc1c[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)cn1.Cc1cc2ncc3ccccc3c2cc1-c1nccc[n+]1C.Cc1cc[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)n1
InChIInChI=1S/C21H19N2.3C20H18N3.C19H16N3/c1-14-10-17-9-8-16-6-4-5-7-18(16)20(17)11-19(14)21-12-22-15(2)13-23(21)3;1-13-8-15-10-22-19-7-5-4-6-16(19)18(15)9-17(13)20-11-21-14(2)12-23(20)3;1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3;1-13-10-15-12-21-19-7-5-4-6-16(19)18(15)11-17(13)20-22-14(2)8-9-23(20)3;1-13-10-18-17(15-7-4-3-6-14(15)12-21-18)11-16(13)19-20-8-5-9-22(19)2/h4-13H,1-3H3;3*4-12H,1-3H3;3-12H,1-2H3/q5*+1
InChIKeyOMKARKJLXRFRSB-UHFFFAOYSA-N
XLogP19.75
TPSA135.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.91
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine
CID 153102145
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
9-methylphenanthridine
CID 10987123
phenanthridine
CID 9189
2-methyl-3,7-phenanthroline
CID 129060966
2-methylphenanthridine
CID 14384826
phenanthridine;platinum(2+)
CID 23616726
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
7-methyl-6-(1-methylquinolin-1-ium-2-yl)quinoline
CID 59372147
3,6-dimethyl-2-(1,4,5-trimethylpyridin-1-ium-2-yl)phenanthridine
CID 157152873

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine?
The IUPAC name of 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine (CID 159788506) is 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine.
What is the SMILES notation for 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine?
The canonical SMILES for 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine is Cc1c[n+](C)c(-c2cc3c(cc2C)ncc2ccccc23)cn1.Cc1c[n+](C)c(-c2cc3c(ccc4ccccc43)cc2C)cn1.Cc1c[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)cn1.Cc1cc2ncc3ccccc3c2cc1-c1nccc[n+]1C.Cc1cc[n+](C)c(-c2cc3c(cnc4ccccc43)cc2C)n1.
What is the InChIKey of 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine?
The InChIKey is OMKARKJLXRFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2.3C20H18N3.C19H16N3/c1-14-10-17-9-8-16-6-4-5-7-18(16)20(17)11-19(14)21-12-22-15(2)13-23(21)3;1-13-8-15-10-22-19-7-5-4-6-16(19)18(15)9-17(13)20-11-21-14(2)12-23(20)3;1-13-8-19-18(16-7-5-4-6-15(16)10-22-19)9-17(13)20-11-21-14(2)12-23(20)3;1-13-10-15-12-21-19-7-5-4-6-16(19)18(15)11-17(13)20-22-14(2)8-9-23(20)3;1-13-10-18-17(15-7-4-3-6-14(15)12-21-18)11-16(13)19-20-8-5-9-22(19)2/h4-13H,1-3H3;3*4-12H,1-3H3;3-12H,1-2H3/q5*+1.
What are the key properties of 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine?
1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine has a molecular weight of 1486.91 g/mol, XLogP of 19.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyrazin-1-ium;2-(1,5-dimethylpyrazin-1-ium-2-yl)-3-methylphenanthridine;9-(1,5-dimethylpyrazin-1-ium-2-yl)-8-methylphenanthridine;9-(1,4-dimethylpyrimidin-1-ium-2-yl)-8-methylphenanthridine;3-methyl-2-(1-methylpyrimidin-1-ium-2-yl)phenanthridine is sourced from PubChem (CID 159788506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).