lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

C35H25Li — CID 175065645

IUPAClithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
SMILES[C-]1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C35H25.Li/c1-6-16-27(17-7-1)32-26-35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(29-20-10-3-11-21-29)33(32)28-18-8-2-9-19-28;/h1-25H;/q-1;+1
InChIKeyCNFRWTYQCVWESK-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.49
Rot. Bonds5

About lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene (PubChem CID 175065645) has the molecular formula C35H25Li and a molecular weight of 452.53 g/mol. Its IUPAC name is lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Namelithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
PubChem CID175065645
Molecular FormulaC35H25Li
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC Namelithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
SMILES[C-]1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C35H25.Li/c1-6-16-27(17-7-1)32-26-35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(29-20-10-3-11-21-29)33(32)28-18-8-2-9-19-28;/h1-25H;/q-1;+1
InChIKeyCNFRWTYQCVWESK-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The IUPAC name of lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene (CID 175065645) is lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene.
What is the SMILES notation for lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The canonical SMILES for lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene is [C-]1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The InChIKey is CNFRWTYQCVWESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25.Li/c1-6-16-27(17-7-1)32-26-35(30-22-12-4-13-23-30,31-24-14-5-15-25-31)34(29-20-10-3-11-21-29)33(32)28-18-8-2-9-19-28;/h1-25H;/q-1;+1.
What are the key properties of lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene has a molecular weight of 452.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1,2,3,4-tetraphenylcyclopenta-2,4-dien-1-yl)benzene is sourced from PubChem (CID 175065645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).