lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate

C20H15LiO2 — CID 58078048

IUPAClithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)c3ccccc3c1-2.[Li+]
InChIInChI=1S/C20H16O2.Li/c1-11-7-8-15-16(9-11)19(20(21)22)17-10-12(2)13-5-3-4-6-14(13)18(15)17;/h3-10,19H,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyJXQKYHLQDSMIQF-UHFFFAOYSA-M
MW294.28 g/mol
LogP0.32
Rot. Bonds1

About lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate

lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate (PubChem CID 58078048) has the molecular formula C20H15LiO2 and a molecular weight of 294.28 g/mol. Its IUPAC name is lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate.

Molecular Properties

Compound Namelithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate
PubChem CID58078048
Molecular FormulaC20H15LiO2
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Namelithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)c3ccccc3c1-2.[Li+]
InChIInChI=1S/C20H16O2.Li/c1-11-7-8-15-16(9-11)19(20(21)22)17-10-12(2)13-5-3-4-6-14(13)18(15)17;/h3-10,19H,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyJXQKYHLQDSMIQF-UHFFFAOYSA-M
XLogP0.32
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate?
The IUPAC name of lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate (CID 58078048) is lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate.
What is the SMILES notation for lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate?
The canonical SMILES for lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate is Cc1ccc2c(c1)C(C(=O)[O-])c1cc(C)c3ccccc3c1-2.[Li+].
What is the InChIKey of lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate?
The InChIKey is JXQKYHLQDSMIQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16O2.Li/c1-11-7-8-15-16(9-11)19(20(21)22)17-10-12(2)13-5-3-4-6-14(13)18(15)17;/h3-10,19H,1-2H3,(H,21,22);/q;+1/p-1.
What are the key properties of lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate?
lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate has a molecular weight of 294.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5,9-dimethyl-7H-benzo[c]fluorene-7-carboxylate is sourced from PubChem (CID 58078048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).