2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium

C22H17N2Y- — CID 164937394

IUPAC2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium
SMILESCc1c(-c2[c-]c(-c3[c-]cccc3)cn[n+]2C)ccc2ccccc12.[Y]
InChIInChI=1S/C22H17N2.Y/c1-16-20-11-7-6-10-18(20)12-13-21(16)22-14-19(15-23-24(22)2)17-8-4-3-5-9-17;/h3-8,10-13,15H,1-2H3;/q-1;
InChIKeyKNWSWLBDUPTZOJ-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.30
Rot. Bonds2

About 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium

2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium (PubChem CID 164937394) has the molecular formula C22H17N2Y- and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium.

Molecular Properties

Compound Name2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium
PubChem CID164937394
Molecular FormulaC22H17N2Y-
Molecular Weight398.30 g/mol
Exact Mass398.05
IUPAC Name2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium
SMILESCc1c(-c2[c-]c(-c3[c-]cccc3)cn[n+]2C)ccc2ccccc12.[Y]
InChIInChI=1S/C22H17N2.Y/c1-16-20-11-7-6-10-18(20)12-13-21(16)22-14-19(15-23-24(22)2)17-8-4-3-5-9-17;/h3-8,10-13,15H,1-2H3;/q-1;
InChIKeyKNWSWLBDUPTZOJ-UHFFFAOYSA-N
XLogP4.30
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
ethane;phenylbenzene;yttrium
CID 161119758
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium
CID 164703602
ethane;6-methylchrysene;1-methyl-3-phenylbenzene-4-ide;yttrium
CID 158954289
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
iridium;5-methyl-6-[5-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-4-pyridinyl]quinoline;2-phenylpyridine
CID 176779378
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059
3-phenyl-4H-quinolin-4-ide;yttrium
CID 176728716
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium?
The IUPAC name of 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium (CID 164937394) is 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium.
What is the SMILES notation for 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium?
The canonical SMILES for 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium is Cc1c(-c2[c-]c(-c3[c-]cccc3)cn[n+]2C)ccc2ccccc12.[Y].
What is the InChIKey of 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium?
The InChIKey is KNWSWLBDUPTZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N2.Y/c1-16-20-11-7-6-10-18(20)12-13-21(16)22-14-19(15-23-24(22)2)17-8-4-3-5-9-17;/h3-8,10-13,15H,1-2H3;/q-1;.
What are the key properties of 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium?
2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium has a molecular weight of 398.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylnaphthalen-2-yl)-5-phenyl-4H-pyridazin-2-ium-4-ide;yttrium is sourced from PubChem (CID 164937394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).