lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene

C17H13Li — CID 71443345

IUPAClithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILES[Li+].c1ccc(-c2cc[c-](-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13.Li/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h1-13H;/q-1;+1
InChIKeyLZFDZIBLIAPZSP-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.74
Rot. Bonds2

About lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene

lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 71443345) has the molecular formula C17H13Li and a molecular weight of 224.23 g/mol. Its IUPAC name is lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Namelithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID71443345
Molecular FormulaC17H13Li
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Namelithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILES[Li+].c1ccc(-c2cc[c-](-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13.Li/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h1-13H;/q-1;+1
InChIKeyLZFDZIBLIAPZSP-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 71443344
bis(1,1'-biphenyl);sulfane
CID 22247507
(3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 123646897
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;cycloheptane
CID 174877368
CID 162140615
CID 162140615
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
CID 53446764
CID 53446764
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;indigane
CID 174363765

Frequently Asked Questions

What is the IUPAC name of lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 71443345) is lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene is [Li+].c1ccc(-c2cc[c-](-c3ccccc3)c2)cc1.
What is the InChIKey of lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is LZFDZIBLIAPZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13.Li/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h1-13H;/q-1;+1.
What are the key properties of lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene?
lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 224.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 71443345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).