lithium 1-phenyl-3-(6-phenylhexyl)benzene

C24H25Li — CID 166571161

IUPAClithium 1-phenyl-3-(6-phenylhexyl)benzene
SMILES[Li+].[c-]1cccc(-c2cccc(CCCCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H25.Li/c1(5-12-21-13-7-3-8-14-21)2-6-15-22-16-11-19-24(20-22)23-17-9-4-10-18-23;/h3-4,7-9,11,13-14,16-20H,1-2,5-6,12,15H2;/q-1;+1
InChIKeyCGIWSDYCDDGVTG-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.50
Rot. Bonds8

About lithium 1-phenyl-3-(6-phenylhexyl)benzene

lithium 1-phenyl-3-(6-phenylhexyl)benzene (PubChem CID 166571161) has the molecular formula C24H25Li and a molecular weight of 320.41 g/mol. Its IUPAC name is lithium 1-phenyl-3-(6-phenylhexyl)benzene.

Molecular Properties

Compound Namelithium 1-phenyl-3-(6-phenylhexyl)benzene
PubChem CID166571161
Molecular FormulaC24H25Li
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Namelithium 1-phenyl-3-(6-phenylhexyl)benzene
SMILES[Li+].[c-]1cccc(-c2cccc(CCCCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H25.Li/c1(5-12-21-13-7-3-8-14-21)2-6-15-22-16-11-19-24(20-22)23-17-9-4-10-18-23;/h3-4,7-9,11,13-14,16-20H,1-2,5-6,12,15H2;/q-1;+1
InChIKeyCGIWSDYCDDGVTG-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
4-(3-phenylphenyl)butan-1-amine
CID 117324209
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-benzyl-3-(6-phenylhexyl)benzene
CID 123789235
4-phenylbutylbenzene
CID 141301927
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
2-octylazulene
CID 101406191
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309

Frequently Asked Questions

What is the IUPAC name of lithium 1-phenyl-3-(6-phenylhexyl)benzene?
The IUPAC name of lithium 1-phenyl-3-(6-phenylhexyl)benzene (CID 166571161) is lithium 1-phenyl-3-(6-phenylhexyl)benzene.
What is the SMILES notation for lithium 1-phenyl-3-(6-phenylhexyl)benzene?
The canonical SMILES for lithium 1-phenyl-3-(6-phenylhexyl)benzene is [Li+].[c-]1cccc(-c2cccc(CCCCCCc3ccccc3)c2)c1.
What is the InChIKey of lithium 1-phenyl-3-(6-phenylhexyl)benzene?
The InChIKey is CGIWSDYCDDGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25.Li/c1(5-12-21-13-7-3-8-14-21)2-6-15-22-16-11-19-24(20-22)23-17-9-4-10-18-23;/h3-4,7-9,11,13-14,16-20H,1-2,5-6,12,15H2;/q-1;+1.
What are the key properties of lithium 1-phenyl-3-(6-phenylhexyl)benzene?
lithium 1-phenyl-3-(6-phenylhexyl)benzene has a molecular weight of 320.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenyl-3-(6-phenylhexyl)benzene is sourced from PubChem (CID 166571161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).