lithium 5H-benzo[a]anthracen-5-ide

C18H11Li — CID 173034453

IUPAClithium 5H-benzo[a]anthracen-5-ide
SMILES[Li+].[c-]1cc2cc3ccccc3cc2c2ccccc12
InChIInChI=1S/C18H11.Li/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18;/h1-8,10-12H;/q-1;+1
InChIKeyDULAIZUEXFCTTM-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds

About lithium 5H-benzo[a]anthracen-5-ide

lithium 5H-benzo[a]anthracen-5-ide (PubChem CID 173034453) has the molecular formula C18H11Li and a molecular weight of 234.23 g/mol. Its IUPAC name is lithium 5H-benzo[a]anthracen-5-ide.

Molecular Properties

Compound Namelithium 5H-benzo[a]anthracen-5-ide
PubChem CID173034453
Molecular FormulaC18H11Li
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Namelithium 5H-benzo[a]anthracen-5-ide
SMILES[Li+].[c-]1cc2cc3ccccc3cc2c2ccccc12
InChIInChI=1S/C18H11.Li/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18;/h1-8,10-12H;/q-1;+1
InChIKeyDULAIZUEXFCTTM-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
lithium anthracene
CID 22662646
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
benzo[a]anthracene;hydrobromide
CID 159787028
CID 157090523
CID 157090523
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
5,12-dichlorotetracene
CID 87498157
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of lithium 5H-benzo[a]anthracen-5-ide?
The IUPAC name of lithium 5H-benzo[a]anthracen-5-ide (CID 173034453) is lithium 5H-benzo[a]anthracen-5-ide.
What is the SMILES notation for lithium 5H-benzo[a]anthracen-5-ide?
The canonical SMILES for lithium 5H-benzo[a]anthracen-5-ide is [Li+].[c-]1cc2cc3ccccc3cc2c2ccccc12.
What is the InChIKey of lithium 5H-benzo[a]anthracen-5-ide?
The InChIKey is DULAIZUEXFCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11.Li/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18;/h1-8,10-12H;/q-1;+1.
What are the key properties of lithium 5H-benzo[a]anthracen-5-ide?
lithium 5H-benzo[a]anthracen-5-ide has a molecular weight of 234.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5H-benzo[a]anthracen-5-ide is sourced from PubChem (CID 173034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).