[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene

C23H26 — CID 141345894

IUPAC[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
SMILESCC(C)(C)C1=CC(C(C)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H26/c1-22(2,3)20-15-16-21(17-20)23(4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,21H,1-4H3
InChIKeyDZZLXPQUFSWURU-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.15
Rot. Bonds3

About [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene

[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene (PubChem CID 141345894) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene.

Molecular Properties

Compound Name[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
PubChem CID141345894
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
SMILESCC(C)(C)C1=CC(C(C)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H26/c1-22(2,3)20-15-16-21(17-20)23(4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,21H,1-4H3
InChIKeyDZZLXPQUFSWURU-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
(3-tert-butylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 15822183
bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
CID 102030256
trimethyl-[3-(2-phenylpropan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 141139818
CID 171375456
CID 171375456
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;chloromethane;ethane
CID 91149652
N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
CID 141067348

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene?
The IUPAC name of [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene (CID 141345894) is [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene.
What is the SMILES notation for [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene?
The canonical SMILES for [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene is CC(C)(C)C1=CC(C(C)(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene?
The InChIKey is DZZLXPQUFSWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-22(2,3)20-15-16-21(17-20)23(4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,21H,1-4H3.
What are the key properties of [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene?
[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene is sourced from PubChem (CID 141345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).