4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane

C128H144N7Si2+5 — CID 159611062

IUPAC4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
SMILES[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3ccccc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3cccnc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([N+]#[C-])cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)c3ccccc3)cc12
InChIInChI=1S/C29H34NSi.C27H28N.C26H27N2.C24H32NSi.C22H23N2/c1-19-14-20(2)23(5)26(15-19)29-27-16-21(3)28(18-24(27)17-22(4)30(29)6)31(7,8)25-12-10-9-11-13-25;1-17-12-18(2)21(5)25(13-17)27-26-14-19(3)24(22-10-8-7-9-11-22)16-23(26)15-20(4)28(27)6;1-16-10-17(2)20(5)24(11-16)26-25-12-18(3)23(21-8-7-9-27-15-21)14-22(25)13-19(4)28(26)6;1-15-10-16(2)19(5)21(11-15)24-22-12-17(3)23(26(7,8)9)14-20(22)13-18(4)25(24)6;1-13-8-14(2)17(5)19(9-13)22-20-10-15(3)21(23-6)12-18(20)11-16(4)24(22)7/h9-18H,1-8H3;7-16H,1-6H3;7-15H,1-6H3;10-14H,1-9H3;8-12H,1-5,7H3/q5*+1/i17D;15D;2*13D;11D
InChIKeyHFRZSXIINBJGEF-HYHHILOFSA-N
MW1841.81 g/mol
LogP29.01
Rot. Bonds10

About 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane

4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane (PubChem CID 159611062) has the molecular formula C128H144N7Si2+5 and a molecular weight of 1841.81 g/mol. Its IUPAC name is 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane.

Molecular Properties

Compound Name4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
PubChem CID159611062
Molecular FormulaC128H144N7Si2+5
Molecular Weight1841.81 g/mol
Exact Mass1840.13
IUPAC Name4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
SMILES[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3ccccc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3cccnc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([N+]#[C-])cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)c3ccccc3)cc12
InChIInChI=1S/C29H34NSi.C27H28N.C26H27N2.C24H32NSi.C22H23N2/c1-19-14-20(2)23(5)26(15-19)29-27-16-21(3)28(18-24(27)17-22(4)30(29)6)31(7,8)25-12-10-9-11-13-25;1-17-12-18(2)21(5)25(13-17)27-26-14-19(3)24(22-10-8-7-9-11-22)16-23(26)15-20(4)28(27)6;1-16-10-17(2)20(5)24(11-16)26-25-12-18(3)23(21-8-7-9-27-15-21)14-22(25)13-19(4)28(26)6;1-15-10-16(2)19(5)21(11-15)24-22-12-17(3)23(26(7,8)9)14-20(22)13-18(4)25(24)6;1-13-8-14(2)17(5)19(9-13)22-20-10-15(3)21(23-6)12-18(20)11-16(4)24(22)7/h9-18H,1-8H3;7-16H,1-6H3;7-15H,1-6H3;10-14H,1-9H3;8-12H,1-5,7H3/q5*+1/i17D;15D;2*13D;11D
InChIKeyHFRZSXIINBJGEF-HYHHILOFSA-N
XLogP29.01
TPSA36.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001841.81
LogP ≤ 529.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane 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

1-(5-tert-butyl-2,3-dimethylphenyl)-4-deuterio-2,3-dimethyl-6-pyridin-3-ylisoquinolin-2-ium
CID 158666797
[4-deuterio-1-(2,5-dimethylphenyl)-2,3-dimethylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 158444881
4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 158978662
4-deuterio-2,3,7-trimethyl-6-pentan-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 158690405
3-deuterio-1-[5-(2-deuteriopropan-2-yl)-2,3-dimethylphenyl]-2-methyl-6-phenylisoquinolin-2-ium;3-deuterio-1-[2,3-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-methyl-6-phenylisoquinolin-2-ium;3-deuterio-2-methyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2,3-dimethyl-1-(2-methyl-5-pyridin-3-ylphenyl)-6-phenylisoquinolin-2-ium
CID 161452940
[4-deuterio-2,3-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 162016601
4-deuterio-2,3,7-trimethyl-1-(3-methyl-4-pyridinyl)isoquinolin-2-ium
CID 159700127
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
4-deuterio-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204975
4-deuterio-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204973
5-methyl-4-phenyl-2-pyridin-3-ylaniline
CID 174549338

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The IUPAC name of 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane (CID 159611062) is 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane.
What is the SMILES notation for 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The canonical SMILES for 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane is [2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3ccccc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c(-c3cccnc3)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([N+]#[C-])cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)C)cc12.[2H]c1c(C)[n+](C)c(-c2cc(C)cc(C)c2C)c2cc(C)c([Si](C)(C)c3ccccc3)cc12.
What is the InChIKey of 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The InChIKey is HFRZSXIINBJGEF-HYHHILOFSA-N. The full InChI is InChI=1S/C29H34NSi.C27H28N.C26H27N2.C24H32NSi.C22H23N2/c1-19-14-20(2)23(5)26(15-19)29-27-16-21(3)28(18-24(27)17-22(4)30(29)6)31(7,8)25-12-10-9-11-13-25;1-17-12-18(2)21(5)25(13-17)27-26-14-19(3)24(22-10-8-7-9-11-22)16-23(26)15-20(4)28(27)6;1-16-10-17(2)20(5)24(11-16)26-25-12-18(3)23(21-8-7-9-27-15-21)14-22(25)13-19(4)28(26)6;1-15-10-16(2)19(5)21(11-15)24-22-12-17(3)23(26(7,8)9)14-20(22)13-18(4)25(24)6;1-13-8-14(2)17(5)19(9-13)22-20-10-15(3)21(23-6)12-18(20)11-16(4)24(22)7/h9-18H,1-8H3;7-16H,1-6H3;7-15H,1-6H3;10-14H,1-9H3;8-12H,1-5,7H3/q5*+1/i17D;15D;2*13D;11D.
What are the key properties of 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane has a molecular weight of 1841.81 g/mol, XLogP of 29.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-6-isocyano-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-phenyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;4-deuterio-2,3,7-trimethyl-6-pyridin-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane;[4-deuterio-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane is sourced from PubChem (CID 159611062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).