1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium

C82H90N16+4 — CID 159505739

IUPAC1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium
SMILESCc1nc(-c2ccc3c4ccccc4c4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2ccc3cnc4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2cccc(-c3nccc[n+]3C)c2C)n(C)c1C.Cc1nc(C)[n+](C)c(-c2cccc(-c3nc(C)c(C)n3C)c2C)n1
InChIInChI=1S/C25H24N3.C20H21N4.C19H24N5.C18H21N4/c1-15-18(25-26-16(2)17(3)28(25)5)12-13-21-19-9-6-7-10-20(19)22-11-8-14-27(4)24(22)23(15)21;1-12-16(20-22-13(2)14(3)24(20)5)9-8-15-11-21-17-7-6-10-23(4)19(17)18(12)15;1-11-16(18-20-12(2)13(3)23(18)6)9-8-10-17(11)19-22-14(4)21-15(5)24(19)7;1-12-15(17-19-10-7-11-21(17)4)8-6-9-16(12)18-20-13(2)14(3)22(18)5/h6-14H,1-5H3;6-11H,1-5H3;8-10H,1-7H3;6-11H,1-5H3/q4*+1
InChIKeyJXICEFCHOJHKGO-UHFFFAOYSA-N
MW1299.73 g/mol
LogP14.64
Rot. Bonds6

About 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium

1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium (PubChem CID 159505739) has the molecular formula C82H90N16+4 and a molecular weight of 1299.73 g/mol. Its IUPAC name is 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium
PubChem CID159505739
Molecular FormulaC82H90N16+4
Molecular Weight1299.73 g/mol
Exact Mass1298.75
IUPAC Name1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium
SMILESCc1nc(-c2ccc3c4ccccc4c4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2ccc3cnc4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2cccc(-c3nccc[n+]3C)c2C)n(C)c1C.Cc1nc(C)[n+](C)c(-c2cccc(-c3nc(C)c(C)n3C)c2C)n1
InChIInChI=1S/C25H24N3.C20H21N4.C19H24N5.C18H21N4/c1-15-18(25-26-16(2)17(3)28(25)5)12-13-21-19-9-6-7-10-20(19)22-11-8-14-27(4)24(22)23(15)21;1-12-16(20-22-13(2)14(3)24(20)5)9-8-15-11-21-17-7-6-10-23(4)19(17)18(12)15;1-11-16(18-20-12(2)13(3)23(18)6)9-8-10-17(11)19-22-14(4)21-15(5)24(19)7;1-12-15(17-19-10-7-11-21(17)4)8-6-9-16(12)18-20-13(2)14(3)22(18)5/h6-14H,1-5H3;6-11H,1-5H3;8-10H,1-7H3;6-11H,1-5H3/q4*+1
InChIKeyJXICEFCHOJHKGO-UHFFFAOYSA-N
XLogP14.64
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.73
LogP ≤ 514.64
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 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium?
The IUPAC name of 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium (CID 159505739) is 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium.
What is the SMILES notation for 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium?
The canonical SMILES for 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium is Cc1nc(-c2ccc3c4ccccc4c4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2ccc3cnc4ccc[n+](C)c4c3c2C)n(C)c1C.Cc1nc(-c2cccc(-c3nccc[n+]3C)c2C)n(C)c1C.Cc1nc(C)[n+](C)c(-c2cccc(-c3nc(C)c(C)n3C)c2C)n1.
What is the InChIKey of 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium?
The InChIKey is JXICEFCHOJHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N3.C20H21N4.C19H24N5.C18H21N4/c1-15-18(25-26-16(2)17(3)28(25)5)12-13-21-19-9-6-7-10-20(19)22-11-8-14-27(4)24(22)23(15)21;1-12-16(20-22-13(2)14(3)24(20)5)9-8-15-11-21-17-7-6-10-23(4)19(17)18(12)15;1-11-16(18-20-12(2)13(3)23(18)6)9-8-10-17(11)19-22-14(4)21-15(5)24(19)7;1-12-15(17-19-10-7-11-21(17)4)8-6-9-16(12)18-20-13(2)14(3)22(18)5/h6-14H,1-5H3;6-11H,1-5H3;8-10H,1-7H3;6-11H,1-5H3/q4*+1.
What are the key properties of 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium?
1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium has a molecular weight of 1299.73 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-9-(1,4,5-trimethylimidazol-2-yl)benzo[c][1,5]naphthyridin-1-ium;1,12-dimethyl-11-(1,4,5-trimethylimidazol-2-yl)phenanthro[9,10-b]pyridin-1-ium;1-methyl-2-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]pyrimidin-1-ium;1,2,4-trimethyl-6-[2-methyl-3-(1,4,5-trimethylimidazol-2-yl)phenyl]-1,3,5-triazin-1-ium is sourced from PubChem (CID 159505739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).