lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C23H23LiOP+ — CID 18515081

IUPAClithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccccc2-c2ccccc2)c(C)c1C.[Li+]
InChIInChI=1S/C23H23OP.Li/c1-15-14-16(2)22(18(4)17(15)3)23(24)25-21-13-9-8-12-20(21)19-10-6-5-7-11-19;/h5-14,25H,1-4H3;/q;+1
InChIKeyLOQIZKLMHGDYGW-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.74
Rot. Bonds4

About lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18515081) has the molecular formula C23H23LiOP+ and a molecular weight of 353.35 g/mol. Its IUPAC name is lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namelithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18515081
Molecular FormulaC23H23LiOP+
Molecular Weight353.35 g/mol
Exact Mass353.16
IUPAC Namelithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccccc2-c2ccccc2)c(C)c1C.[Li+]
InChIInChI=1S/C23H23OP.Li/c1-15-14-16(2)22(18(4)17(15)3)23(24)25-21-13-9-8-12-20(21)19-10-6-5-7-11-19;/h5-14,25H,1-4H3;/q;+1
InChIKeyLOQIZKLMHGDYGW-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 18515081) is lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is Cc1cc(C)c(C(=O)Pc2ccccc2-c2ccccc2)c(C)c1C.[Li+].
What is the InChIKey of lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is LOQIZKLMHGDYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23OP.Li/c1-15-14-16(2)22(18(4)17(15)3)23(24)25-21-13-9-8-12-20(21)19-10-6-5-7-11-19;/h5-14,25H,1-4H3;/q;+1.
What are the key properties of lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 353.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18515081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).