1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium

C32H32NY- — CID 140940716

IUPAC1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
SMILES[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)C(C)(C)c2c[c-]c(-c4[c-]cccc4)cc2-3)[n+](C)c1.[Y]
InChIInChI=1S/C32H32N.Y/c1-21-13-18-28(33(7)20-21)29-22(2)14-16-25-26-19-24(23-11-9-8-10-12-23)15-17-27(26)31(3,4)32(5,6)30(25)29;/h8-11,13-14,16-20H,1-7H3;/q-1;/i1D3;
InChIKeyLWAKENIDVOEOJH-NIIDSAIPSA-N
MW522.54 g/mol
LogP7.30
Rot. Bonds3

About 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium

1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium (PubChem CID 140940716) has the molecular formula C32H32NY- and a molecular weight of 522.54 g/mol. Its IUPAC name is 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium.

Molecular Properties

Compound Name1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
PubChem CID140940716
Molecular FormulaC32H32NY-
Molecular Weight522.54 g/mol
Exact Mass522.18
IUPAC Name1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
SMILES[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)C(C)(C)c2c[c-]c(-c4[c-]cccc4)cc2-3)[n+](C)c1.[Y]
InChIInChI=1S/C32H32N.Y/c1-21-13-18-28(33(7)20-21)29-22(2)14-16-25-26-19-24(23-11-9-8-10-12-23)15-17-27(26)31(3,4)32(5,6)30(25)29;/h8-11,13-14,16-20H,1-7H3;/q-1;/i1D3;
InChIKeyLWAKENIDVOEOJH-NIIDSAIPSA-N
XLogP7.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.54
LogP ≤ 57.30
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-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
CID 140940687
1-methyl-2-(2,11,11,12,12-pentamethylchrysen-3-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140940624
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
1,5-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium;1,4-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium
CID 161479909
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 162120149
17-methyl-18-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-10,10-bis(trideuteriomethyl)-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 156661836
8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
CID 170252084
4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(5,5,6,6-tetramethyl-3H-naphtho[1,2-b][1]benzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 176590469
2-[2-(1-deuteriocyclopentyl)-6-methylphenyl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 140881400
17-methyl-18-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-9,9-bis(trideuteriomethyl)-20-oxa-4-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 155648824
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
CID 160561068

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The IUPAC name of 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium (CID 140940716) is 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium.
What is the SMILES notation for 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The canonical SMILES for 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium is [2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)C(C)(C)c2c[c-]c(-c4[c-]cccc4)cc2-3)[n+](C)c1.[Y].
What is the InChIKey of 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The InChIKey is LWAKENIDVOEOJH-NIIDSAIPSA-N. The full InChI is InChI=1S/C32H32N.Y/c1-21-13-18-28(33(7)20-21)29-22(2)14-16-25-26-19-24(23-11-9-8-10-12-23)15-17-27(26)31(3,4)32(5,6)30(25)29;/h8-11,13-14,16-20H,1-7H3;/q-1;/i1D3;.
What are the key properties of 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium has a molecular weight of 522.54 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium is sourced from PubChem (CID 140940716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).