lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride

C25H28LiOP — CID 173243309

IUPAClithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1ccccc1-c1ccccc1.[H-].[Li+]
InChIInChI=1S/C25H27OP.Li.H/c1-17-15-20(25(3,4)5)16-18(2)23(17)24(26)27-22-14-10-9-13-21(22)19-11-7-6-8-12-19;;/h6-16,27H,1-5H3;;/q;+1;-1
InChIKeyKGFHNFCRBNXNOY-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.53
Rot. Bonds4

About lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride

lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride (PubChem CID 173243309) has the molecular formula C25H28LiOP and a molecular weight of 382.41 g/mol. Its IUPAC name is lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride
PubChem CID173243309
Molecular FormulaC25H28LiOP
Molecular Weight382.41 g/mol
Exact Mass382.20
IUPAC Namelithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1ccccc1-c1ccccc1.[H-].[Li+]
InChIInChI=1S/C25H27OP.Li.H/c1-17-15-20(25(3,4)5)16-18(2)23(17)24(26)27-22-14-10-9-13-21(22)19-11-7-6-8-12-19;;/h6-16,27H,1-5H3;;/q;+1;-1
InChIKeyKGFHNFCRBNXNOY-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;(2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245851
lithium (2-phenylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515081
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
CID 70016387
CID 70016387
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
CID 70014312
CID 70014312
CID 70015545
CID 70015545
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
lithium;ethylphosphanyl-(2-methyl-6-phenylphenyl)methanone;hydride
CID 174386730
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894

Frequently Asked Questions

What is the IUPAC name of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride (CID 173243309) is lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride is Cc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1ccccc1-c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride?
The InChIKey is KGFHNFCRBNXNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27OP.Li.H/c1-17-15-20(25(3,4)5)16-18(2)23(17)24(26)27-22-14-10-9-13-21(22)19-11-7-6-8-12-19;;/h6-16,27H,1-5H3;;/q;+1;-1.
What are the key properties of lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride?
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride has a molecular weight of 382.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).