(1,3,3-triphenylcyclobutyl)benzene

C28H24 — CID 101271353

IUPAC(1,3,3-triphenylcyclobutyl)benzene
SMILESc1ccc(C2(c3ccccc3)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C28H24/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-28(22-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyZEJIZDJXOUZFMP-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.75
Rot. Bonds4

About (1,3,3-triphenylcyclobutyl)benzene

(1,3,3-triphenylcyclobutyl)benzene (PubChem CID 101271353) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is (1,3,3-triphenylcyclobutyl)benzene.

Molecular Properties

Compound Name(1,3,3-triphenylcyclobutyl)benzene
PubChem CID101271353
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name(1,3,3-triphenylcyclobutyl)benzene
SMILESc1ccc(C2(c3ccccc3)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C28H24/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-28(22-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyZEJIZDJXOUZFMP-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diphenylcyclotetradecane
CID 175822005
3,3-diphenylcyclopentane-1,1-diamine
CID 70622248
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(1S,4R)-1,4-diphenyl-2,3-dioxabicyclo[2.2.1]hept-5-ene
CID 11831839
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
[(1S)-1,2,2-trichlorocyclopropyl]benzene
CID 95239829
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
1-methyl-3,5,7-triphenyladamantane
CID 20728636
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185

Frequently Asked Questions

What is the IUPAC name of (1,3,3-triphenylcyclobutyl)benzene?
The IUPAC name of (1,3,3-triphenylcyclobutyl)benzene (CID 101271353) is (1,3,3-triphenylcyclobutyl)benzene.
What is the SMILES notation for (1,3,3-triphenylcyclobutyl)benzene?
The canonical SMILES for (1,3,3-triphenylcyclobutyl)benzene is c1ccc(C2(c3ccccc3)CC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of (1,3,3-triphenylcyclobutyl)benzene?
The InChIKey is ZEJIZDJXOUZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-28(22-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of (1,3,3-triphenylcyclobutyl)benzene?
(1,3,3-triphenylcyclobutyl)benzene has a molecular weight of 360.50 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-triphenylcyclobutyl)benzene is sourced from PubChem (CID 101271353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).