lithium phenanthren-1-olate

C14H9LiO — CID 23684870

IUPAClithium phenanthren-1-olate
SMILES[Li+].[O-]c1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H10O.Li/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;/h1-9,15H;/q;+1/p-1
InChIKeyKJPDNGVOKOCQEN-UHFFFAOYSA-M
MW200.17 g/mol
LogP0.07
Rot. Bonds

About lithium phenanthren-1-olate

lithium phenanthren-1-olate (PubChem CID 23684870) has the molecular formula C14H9LiO and a molecular weight of 200.17 g/mol. Its IUPAC name is lithium phenanthren-1-olate.

Molecular Properties

Compound Namelithium phenanthren-1-olate
PubChem CID23684870
Molecular FormulaC14H9LiO
Molecular Weight200.17 g/mol
Exact Mass200.08
IUPAC Namelithium phenanthren-1-olate
SMILES[Li+].[O-]c1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H10O.Li/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;/h1-9,15H;/q;+1/p-1
InChIKeyKJPDNGVOKOCQEN-UHFFFAOYSA-M
XLogP0.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethene;picene
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phenanthrene;pyrene;triphenylene
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phenanthrene;sulfane
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phenanthrene;phosphane
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heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
benzo[c]phenanthrene;chrysene
CID 161372898
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
aluminum;lithium;bis(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate)
CID 11556215
butane;chrysene;ethane
CID 143984277
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997

Frequently Asked Questions

What is the IUPAC name of lithium phenanthren-1-olate?
The IUPAC name of lithium phenanthren-1-olate (CID 23684870) is lithium phenanthren-1-olate.
What is the SMILES notation for lithium phenanthren-1-olate?
The canonical SMILES for lithium phenanthren-1-olate is [Li+].[O-]c1cccc2c1ccc1ccccc12.
What is the InChIKey of lithium phenanthren-1-olate?
The InChIKey is KJPDNGVOKOCQEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10O.Li/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;/h1-9,15H;/q;+1/p-1.
What are the key properties of lithium phenanthren-1-olate?
lithium phenanthren-1-olate has a molecular weight of 200.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenanthren-1-olate is sourced from PubChem (CID 23684870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).