lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone

C36H33LiO4P+ — CID 18514819

IUPAClithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
SMILESCc1cccc(C)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C36H33O4P.Li/c1-26-13-12-14-27(2)34(26)36(37)41-35-32(39-24-29-17-8-4-9-18-29)21-31(38-23-28-15-6-3-7-16-28)22-33(35)40-25-30-19-10-5-11-20-30;/h3-22,41H,23-25H2,1-2H3;/q;+1
InChIKeyHZEXIIXQMVGBTP-UHFFFAOYSA-N
MW567.57 g/mol
LogP5.19
Rot. Bonds12

About lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone

lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone (PubChem CID 18514819) has the molecular formula C36H33LiO4P+ and a molecular weight of 567.57 g/mol. Its IUPAC name is lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
PubChem CID18514819
Molecular FormulaC36H33LiO4P+
Molecular Weight567.57 g/mol
Exact Mass567.23
IUPAC Namelithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
SMILESCc1cccc(C)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+]
InChIInChI=1S/C36H33O4P.Li/c1-26-13-12-14-27(2)34(26)36(37)41-35-32(39-24-29-17-8-4-9-18-29)21-31(38-23-28-15-6-3-7-16-28)22-33(35)40-25-30-19-10-5-11-20-30;/h3-22,41H,23-25H2,1-2H3;/q;+1
InChIKeyHZEXIIXQMVGBTP-UHFFFAOYSA-N
XLogP5.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
CID 70014251
CID 70014251
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
CID 70016387
CID 70016387

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The IUPAC name of lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone (CID 18514819) is lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone is Cc1cccc(C)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[Li+].
What is the InChIKey of lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
The InChIKey is HZEXIIXQMVGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33O4P.Li/c1-26-13-12-14-27(2)34(26)36(37)41-35-32(39-24-29-17-8-4-9-18-29)21-31(38-23-28-15-6-3-7-16-28)22-33(35)40-25-30-19-10-5-11-20-30;/h3-22,41H,23-25H2,1-2H3;/q;+1.
What are the key properties of lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone?
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone has a molecular weight of 567.57 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18514819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).