1-chloro-4-tritylbenzene

C25H19Cl — CID 14737307

IUPAC1-chloro-4-tritylbenzene
SMILESClc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19Cl/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H
InChIKeyPOKHMGFQIDXRSF-UHFFFAOYSA-N
MW354.88 g/mol
LogP6.72
Rot. Bonds4

About 1-chloro-4-tritylbenzene

1-chloro-4-tritylbenzene (PubChem CID 14737307) has the molecular formula C25H19Cl and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-chloro-4-tritylbenzene.

Molecular Properties

Compound Name1-chloro-4-tritylbenzene
PubChem CID14737307
Molecular FormulaC25H19Cl
Molecular Weight354.88 g/mol
Exact Mass354.12
IUPAC Name1-chloro-4-tritylbenzene
SMILESClc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19Cl/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H
InChIKeyPOKHMGFQIDXRSF-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-4-tritylbenzene 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

1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
1-chloro-3-tritylbenzene
CID 14737306
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
sulfuryl dichloride;tritylbenzene
CID 174476389
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
benzene;chlorobenzene
CID 159657667
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
2-chloro-4-tritylaniline
CID 3502862
chlorobenzene;trifluoromethylbenzene
CID 159341337
1-chloro-4-[diisocyanato(phenyl)methyl]benzene
CID 141414118
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-tritylbenzene?
The IUPAC name of 1-chloro-4-tritylbenzene (CID 14737307) is 1-chloro-4-tritylbenzene.
What is the SMILES notation for 1-chloro-4-tritylbenzene?
The canonical SMILES for 1-chloro-4-tritylbenzene is Clc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-tritylbenzene?
The InChIKey is POKHMGFQIDXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 1-chloro-4-tritylbenzene?
1-chloro-4-tritylbenzene has a molecular weight of 354.88 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-tritylbenzene is sourced from PubChem (CID 14737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).