[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene

C28H28 — CID 173472951

IUPAC[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene
SMILESCC(C)(C)C1=CCC=C1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-12,14-21H,13H2,1-3H3
InChIKeyXNNWLGSLBOXEJS-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.32
Rot. Bonds4

About [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene

[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene (PubChem CID 173472951) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene
PubChem CID173472951
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene
SMILESCC(C)(C)C1=CCC=C1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-12,14-21H,13H2,1-3H3
InChIKeyXNNWLGSLBOXEJS-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.32
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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Related Compounds

2,3-ditert-butylcyclopenta-1,3-diene;dihydrochloride
CID 175479937
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
CID 171375456
CID 171375456
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
1-[bis(3-methylphenyl)-(5-phenylcyclopenta-1,4-dien-1-yl)methyl]-3-methylbenzene
CID 173473561
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;chloromethane;ethane
CID 91149652
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
CID 22996629
tert-butylbenzene;methanimine
CID 174908280

Frequently Asked Questions

What is the IUPAC name of [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene?
The IUPAC name of [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene (CID 173472951) is [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene.
What is the SMILES notation for [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene?
The canonical SMILES for [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene is CC(C)(C)C1=CCC=C1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene?
The InChIKey is XNNWLGSLBOXEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-12,14-21H,13H2,1-3H3.
What are the key properties of [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene?
[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene has a molecular weight of 364.53 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene is sourced from PubChem (CID 173472951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).