2-methanidyl-N-phenylaniline;tetrakis(yttrium)

C13H12NY4- — CID 59026767

IUPAC2-methanidyl-N-phenylaniline;tetrakis(yttrium)
SMILES[CH2-]c1ccccc1Nc1ccccc1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H12N.4Y/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;;;;/h2-10,14H,1H2;;;;/q-1;;;;
InChIKeyWQSAAGFKVDQBMI-UHFFFAOYSA-N
MW537.87 g/mol
LogP3.60
Rot. Bonds2

About 2-methanidyl-N-phenylaniline;tetrakis(yttrium)

2-methanidyl-N-phenylaniline;tetrakis(yttrium) (PubChem CID 59026767) has the molecular formula C13H12NY4- and a molecular weight of 537.87 g/mol. Its IUPAC name is 2-methanidyl-N-phenylaniline;tetrakis(yttrium).

Molecular Properties

Compound Name2-methanidyl-N-phenylaniline;tetrakis(yttrium)
PubChem CID59026767
Molecular FormulaC13H12NY4-
Molecular Weight537.87 g/mol
Exact Mass537.72
IUPAC Name2-methanidyl-N-phenylaniline;tetrakis(yttrium)
SMILES[CH2-]c1ccccc1Nc1ccccc1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H12N.4Y/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;;;;/h2-10,14H,1H2;;;;/q-1;;;;
InChIKeyWQSAAGFKVDQBMI-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
azane;N-phenylaniline
CID 67074378
hydrazine;N-phenylaniline
CID 159755629
N-(2-anilinophenyl)formamide
CID 59918917
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
bis(2-anilinophenyl)methanone
CID 141301141
2,3-dimethyl-N-phenylaniline
CID 14952469
2-methoxy-N-phenylaniline
CID 10910514
3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
CID 91560764

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-N-phenylaniline;tetrakis(yttrium)?
The IUPAC name of 2-methanidyl-N-phenylaniline;tetrakis(yttrium) (CID 59026767) is 2-methanidyl-N-phenylaniline;tetrakis(yttrium).
What is the SMILES notation for 2-methanidyl-N-phenylaniline;tetrakis(yttrium)?
The canonical SMILES for 2-methanidyl-N-phenylaniline;tetrakis(yttrium) is [CH2-]c1ccccc1Nc1ccccc1.[Y].[Y].[Y].[Y].
What is the InChIKey of 2-methanidyl-N-phenylaniline;tetrakis(yttrium)?
The InChIKey is WQSAAGFKVDQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N.4Y/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;;;;/h2-10,14H,1H2;;;;/q-1;;;;.
What are the key properties of 2-methanidyl-N-phenylaniline;tetrakis(yttrium)?
2-methanidyl-N-phenylaniline;tetrakis(yttrium) has a molecular weight of 537.87 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-N-phenylaniline;tetrakis(yttrium) is sourced from PubChem (CID 59026767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).