lithium benzhydrylbenzene

C19H16Li+ — CID 18381038

IUPAClithium benzhydrylbenzene
SMILES[Li+].c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q;+1
InChIKeyPRODOLUSLJVVMH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.87
Rot. Bonds3

About lithium benzhydrylbenzene

lithium benzhydrylbenzene (PubChem CID 18381038) has the molecular formula C19H16Li+ and a molecular weight of 251.28 g/mol. Its IUPAC name is lithium benzhydrylbenzene.

Molecular Properties

Compound Namelithium benzhydrylbenzene
PubChem CID18381038
Molecular FormulaC19H16Li+
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Namelithium benzhydrylbenzene
SMILES[Li+].c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q;+1
InChIKeyPRODOLUSLJVVMH-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze lithium benzhydrylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;benzhydrylbenzene
CID 70581647
benzhydrylbenzene hexatetrafluoroborate
CID 173334521
1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene
CID 175481180
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
benzhydrylbenzene;isocyanic acid
CID 172798878
benzhydrylbenzene triisocyanate
CID 21225664
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
1-benzhydryl-4-chlorobenzene
CID 13050205
4-benzhydrylpyridin-1-ium-1-amine
CID 23660224
1-benzhydryl-4-(2-phenylethenyl)benzene
CID 90954362
4-benzhydrylpyridine;ethane
CID 90843990

Frequently Asked Questions

What is the IUPAC name of lithium benzhydrylbenzene?
The IUPAC name of lithium benzhydrylbenzene (CID 18381038) is lithium benzhydrylbenzene.
What is the SMILES notation for lithium benzhydrylbenzene?
The canonical SMILES for lithium benzhydrylbenzene is [Li+].c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium benzhydrylbenzene?
The InChIKey is PRODOLUSLJVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.Li/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q;+1.
What are the key properties of lithium benzhydrylbenzene?
lithium benzhydrylbenzene has a molecular weight of 251.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzhydrylbenzene is sourced from PubChem (CID 18381038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).