lithium (2,3,4,5-tetraphenylcyclopentyl)benzene

C35H29Li — CID 134976485

IUPAClithium (2,3,4,5-tetraphenylcyclopentyl)benzene
SMILES[Li+].c1ccc([C-]2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C35H29.Li/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;/h1-25,31-34H;/q-1;+1
InChIKeyPSMIQUNDYGUEQI-UHFFFAOYSA-N
MW456.56 g/mol
LogP5.76
Rot. Bonds5

About lithium (2,3,4,5-tetraphenylcyclopentyl)benzene

lithium (2,3,4,5-tetraphenylcyclopentyl)benzene (PubChem CID 134976485) has the molecular formula C35H29Li and a molecular weight of 456.56 g/mol. Its IUPAC name is lithium (2,3,4,5-tetraphenylcyclopentyl)benzene.

Molecular Properties

Compound Namelithium (2,3,4,5-tetraphenylcyclopentyl)benzene
PubChem CID134976485
Molecular FormulaC35H29Li
Molecular Weight456.56 g/mol
Exact Mass456.24
IUPAC Namelithium (2,3,4,5-tetraphenylcyclopentyl)benzene
SMILES[Li+].c1ccc([C-]2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C35H29.Li/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;/h1-25,31-34H;/q-1;+1
InChIKeyPSMIQUNDYGUEQI-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.76
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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Frequently Asked Questions

What is the IUPAC name of lithium (2,3,4,5-tetraphenylcyclopentyl)benzene?
The IUPAC name of lithium (2,3,4,5-tetraphenylcyclopentyl)benzene (CID 134976485) is lithium (2,3,4,5-tetraphenylcyclopentyl)benzene.
What is the SMILES notation for lithium (2,3,4,5-tetraphenylcyclopentyl)benzene?
The canonical SMILES for lithium (2,3,4,5-tetraphenylcyclopentyl)benzene is [Li+].c1ccc([C-]2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of lithium (2,3,4,5-tetraphenylcyclopentyl)benzene?
The InChIKey is PSMIQUNDYGUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29.Li/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;/h1-25,31-34H;/q-1;+1.
What are the key properties of lithium (2,3,4,5-tetraphenylcyclopentyl)benzene?
lithium (2,3,4,5-tetraphenylcyclopentyl)benzene has a molecular weight of 456.56 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,3,4,5-tetraphenylcyclopentyl)benzene is sourced from PubChem (CID 134976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).