2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten

C23H17NW-2 — CID 177081636

IUPAC2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
SMILESCc1ccc(-c2[c-]cccc2)[c-]c1-c1c2[c-]cccc2cc[n+]1C.[W]
InChIInChI=1S/C23H17N.W/c1-17-12-13-20(18-8-4-3-5-9-18)16-22(17)23-21-11-7-6-10-19(21)14-15-24(23)2;/h3-8,10,12-15H,1-2H3;/q-2;
InChIKeyRVVFBMAGQZIZCB-UHFFFAOYSA-N
MW491.24 g/mol
LogP4.70
Rot. Bonds2

About 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten

2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten (PubChem CID 177081636) has the molecular formula C23H17NW-2 and a molecular weight of 491.24 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
PubChem CID177081636
Molecular FormulaC23H17NW-2
Molecular Weight491.24 g/mol
Exact Mass491.09
IUPAC Name2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
SMILESCc1ccc(-c2[c-]cccc2)[c-]c1-c1c2[c-]cccc2cc[n+]1C.[W]
InChIInChI=1S/C23H17N.W/c1-17-12-13-20(18-8-4-3-5-9-18)16-22(17)23-21-11-7-6-10-19(21)14-15-24(23)2;/h3-8,10,12-15H,1-2H3;/q-2;
InChIKeyRVVFBMAGQZIZCB-UHFFFAOYSA-N
XLogP4.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
CID 172528303
ethane;phenylbenzene;yttrium
CID 161119758
1-methyl-2-(2-methyl-5-phenylbenzene-6-id-1-yl)-3-phenylbenzimidazol-1-ium;yttrium
CID 167338975
iridium;phenylbenzene
CID 58599975
4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium
CID 170543461
1-methyl-2-[2-methyl-5-(1H-naphthalen-1-id-2-yl)benzene-6-id-1-yl]-3-phenylimidazol-1-ium;yttrium
CID 167339211
palladium(2+);phenylbenzene
CID 58471959
1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))
CID 159055961
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
CID 162057595
4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium
CID 59915148
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
3-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-4H-benzo[c][1,5]naphthyridin-4-ide;yttrium
CID 153428633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten?
The IUPAC name of 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten (CID 177081636) is 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten.
What is the SMILES notation for 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten?
The canonical SMILES for 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten is Cc1ccc(-c2[c-]cccc2)[c-]c1-c1c2[c-]cccc2cc[n+]1C.[W].
What is the InChIKey of 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten?
The InChIKey is RVVFBMAGQZIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N.W/c1-17-12-13-20(18-8-4-3-5-9-18)16-22(17)23-21-11-7-6-10-19(21)14-15-24(23)2;/h3-8,10,12-15H,1-2H3;/q-2;.
What are the key properties of 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten?
2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten has a molecular weight of 491.24 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten is sourced from PubChem (CID 177081636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).