(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium

C14H13N2Y- — CID 59137960

IUPAC(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
SMILESCc1ccc(/N=N/c2[c-]ccc(C)c2)cc1.[Y]
InChIInChI=1S/C14H13N2.Y/c1-11-6-8-13(9-7-11)15-16-14-5-3-4-12(2)10-14;/h3-4,6-10H,1-2H3;/q-1;/b16-15+;
InChIKeyHIAHLFVBGFRIBF-GEEYTBSJSA-N
MW298.18 g/mol
LogP4.52
Rot. Bonds2

About (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium

(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium (PubChem CID 59137960) has the molecular formula C14H13N2Y- and a molecular weight of 298.18 g/mol. Its IUPAC name is (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium.

Molecular Properties

Compound Name(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
PubChem CID59137960
Molecular FormulaC14H13N2Y-
Molecular Weight298.18 g/mol
Exact Mass298.01
IUPAC Name(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
SMILESCc1ccc(/N=N/c2[c-]ccc(C)c2)cc1.[Y]
InChIInChI=1S/C14H13N2.Y/c1-11-6-8-13(9-7-11)15-16-14-5-3-4-12(2)10-14;/h3-4,6-10H,1-2H3;/q-1;/b16-15+;
InChIKeyHIAHLFVBGFRIBF-GEEYTBSJSA-N
XLogP4.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium 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

bis(4-methylphenyl)diazene
CID 10389
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine
CID 5175963
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol
CID 136745893
methylideneruthenium(1+);phenyl(phenyl)diazene
CID 153361952
3-(3-methylbenzene-6-id-1-yl)-4H-pyridin-4-ide;(yttrium)
CID 155613735
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
CID 159049808
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten
CID 23597691
2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine
CID 95930154

Frequently Asked Questions

What is the IUPAC name of (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium?
The IUPAC name of (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium (CID 59137960) is (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium.
What is the SMILES notation for (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium?
The canonical SMILES for (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium is Cc1ccc(/N=N/c2[c-]ccc(C)c2)cc1.[Y].
What is the InChIKey of (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium?
The InChIKey is HIAHLFVBGFRIBF-GEEYTBSJSA-N. The full InChI is InChI=1S/C14H13N2.Y/c1-11-6-8-13(9-7-11)15-16-14-5-3-4-12(2)10-14;/h3-4,6-10H,1-2H3;/q-1;/b16-15+;.
What are the key properties of (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium?
(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium has a molecular weight of 298.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium is sourced from PubChem (CID 59137960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).