dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide

C24H16Li2N4 — CID 138975971

IUPACdilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide
SMILES[Li+].[Li+].[c-]1ccccc1-n1nnc2c(-c3ccccc3[N-]c3ccccc3)cccc21
InChIInChI=1S/C24H16N4.2Li/c1-3-10-18(11-4-1)25-22-16-8-7-14-20(22)21-15-9-17-23-24(21)26-27-28(23)19-12-5-2-6-13-19;;/h1-12,14-17H;;/q-2;2*+1
InChIKeyAKHDAGMEVHFPCY-UHFFFAOYSA-N
MW374.30 g/mol
LogP0.23
Rot. Bonds4

About dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide

dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide (PubChem CID 138975971) has the molecular formula C24H16Li2N4 and a molecular weight of 374.30 g/mol. Its IUPAC name is dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide.

Molecular Properties

Compound Namedilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide
PubChem CID138975971
Molecular FormulaC24H16Li2N4
Molecular Weight374.30 g/mol
Exact Mass374.17
IUPAC Namedilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide
SMILES[Li+].[Li+].[c-]1ccccc1-n1nnc2c(-c3ccccc3[N-]c3ccccc3)cccc21
InChIInChI=1S/C24H16N4.2Li/c1-3-10-18(11-4-1)25-22-16-8-7-14-20(22)21-15-9-17-23-24(21)26-27-28(23)19-12-5-2-6-13-19;;/h1-12,14-17H;;/q-2;2*+1
InChIKeyAKHDAGMEVHFPCY-UHFFFAOYSA-N
XLogP0.23
TPSA44.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium
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5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
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CID 171043699
2-tert-butyl-10-[3-(2-methylphenyl)benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum(2+)
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1-ethyl-4-methylbenzotriazole
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Frequently Asked Questions

What is the IUPAC name of dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide?
The IUPAC name of dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide (CID 138975971) is dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide.
What is the SMILES notation for dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide?
The canonical SMILES for dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide is [Li+].[Li+].[c-]1ccccc1-n1nnc2c(-c3ccccc3[N-]c3ccccc3)cccc21.
What is the InChIKey of dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide?
The InChIKey is AKHDAGMEVHFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4.2Li/c1-3-10-18(11-4-1)25-22-16-8-7-14-20(22)21-15-9-17-23-24(21)26-27-28(23)19-12-5-2-6-13-19;;/h1-12,14-17H;;/q-2;2*+1.
What are the key properties of dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide?
dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide has a molecular weight of 374.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;phenyl-[2-(1-phenylbenzotriazol-4-yl)phenyl]azanide is sourced from PubChem (CID 138975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).