lithium;1-hexylanthracene;hydride

C20H23Li — CID 174350658

IUPAClithium;1-hexylanthracene;hydride
SMILESCCCCCCc1cccc2cc3ccccc3cc12.[H-].[Li+]
InChIInChI=1S/C20H22.Li.H/c1-2-3-4-5-9-16-12-8-13-19-14-17-10-6-7-11-18(17)15-20(16)19;;/h6-8,10-15H,2-5,9H2,1H3;;/q;+1;-1
InChIKeyPBGDCTJLSJIBAD-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.23
Rot. Bonds5

About lithium;1-hexylanthracene;hydride

lithium;1-hexylanthracene;hydride (PubChem CID 174350658) has the molecular formula C20H23Li and a molecular weight of 270.34 g/mol. Its IUPAC name is lithium;1-hexylanthracene;hydride.

Molecular Properties

Compound Namelithium;1-hexylanthracene;hydride
PubChem CID174350658
Molecular FormulaC20H23Li
Molecular Weight270.34 g/mol
Exact Mass270.20
IUPAC Namelithium;1-hexylanthracene;hydride
SMILESCCCCCCc1cccc2cc3ccccc3cc12.[H-].[Li+]
InChIInChI=1S/C20H22.Li.H/c1-2-3-4-5-9-16-12-8-13-19-14-17-10-6-7-11-18(17)15-20(16)19;;/h6-8,10-15H,2-5,9H2,1H3;;/q;+1;-1
InChIKeyPBGDCTJLSJIBAD-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-dodecylpentacene
CID 141370235
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
potassium;hydride;1-octylnaphthalene
CID 173443599
1-tetradecylnaphthalene
CID 14402128
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3,5-dihexylnaphthalene-2-sulfonic acid
CID 101319397

Frequently Asked Questions

What is the IUPAC name of lithium;1-hexylanthracene;hydride?
The IUPAC name of lithium;1-hexylanthracene;hydride (CID 174350658) is lithium;1-hexylanthracene;hydride.
What is the SMILES notation for lithium;1-hexylanthracene;hydride?
The canonical SMILES for lithium;1-hexylanthracene;hydride is CCCCCCc1cccc2cc3ccccc3cc12.[H-].[Li+].
What is the InChIKey of lithium;1-hexylanthracene;hydride?
The InChIKey is PBGDCTJLSJIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.Li.H/c1-2-3-4-5-9-16-12-8-13-19-14-17-10-6-7-11-18(17)15-20(16)19;;/h6-8,10-15H,2-5,9H2,1H3;;/q;+1;-1.
What are the key properties of lithium;1-hexylanthracene;hydride?
lithium;1-hexylanthracene;hydride has a molecular weight of 270.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-hexylanthracene;hydride is sourced from PubChem (CID 174350658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).