2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)

C21H17LiNO- — CID 140578553

IUPAC2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)
SMILES[LiH2-].[O-]c1ccccc1/[NH+]=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H15NO.Li.2H/c23-21-12-6-5-11-20(21)22-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19;;;/h1-14,23H;;;/q;-1;;/b22-14+;;;
InChIKeyQHXJMXZLVZIMQG-UZCIDVFDSA-N
MW306.31 g/mol
LogP1.98
Rot. Bonds2

About 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)

2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-) (PubChem CID 140578553) has the molecular formula C21H17LiNO- and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-).

Molecular Properties

Compound Name2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)
PubChem CID140578553
Molecular FormulaC21H17LiNO-
Molecular Weight306.31 g/mol
Exact Mass306.15
IUPAC Name2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)
SMILES[LiH2-].[O-]c1ccccc1/[NH+]=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H15NO.Li.2H/c23-21-12-6-5-11-20(21)22-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19;;;/h1-14,23H;;;/q;-1;;/b22-14+;;;
InChIKeyQHXJMXZLVZIMQG-UZCIDVFDSA-N
XLogP1.98
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)?
The IUPAC name of 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-) (CID 140578553) is 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-).
What is the SMILES notation for 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)?
The canonical SMILES for 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-) is [LiH2-].[O-]c1ccccc1/[NH+]=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)?
The InChIKey is QHXJMXZLVZIMQG-UZCIDVFDSA-N. The full InChI is InChI=1S/C21H15NO.Li.2H/c23-21-12-6-5-11-20(21)22-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19;;;/h1-14,23H;;;/q;-1;;/b22-14+;;;.
What are the key properties of 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)?
2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-) has a molecular weight of 306.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-) is sourced from PubChem (CID 140578553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).