tritylbenzene

C25H20 — CID 12424

IUPACtritylbenzene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyPEQHIRFAKIASBK-UHFFFAOYSA-N
MW320.44 g/mol
LogP6.07
Rot. Bonds4

About tritylbenzene

tritylbenzene (PubChem CID 12424) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is tritylbenzene.

Molecular Properties

Compound Nametritylbenzene
PubChem CID12424
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Nametritylbenzene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyPEQHIRFAKIASBK-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tritylbenzene?
The IUPAC name of tritylbenzene (CID 12424) is tritylbenzene.
What is the SMILES notation for tritylbenzene?
The canonical SMILES for tritylbenzene is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tritylbenzene?
The InChIKey is PEQHIRFAKIASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of tritylbenzene?
tritylbenzene has a molecular weight of 320.44 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritylbenzene is sourced from PubChem (CID 12424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).