3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene

C26H28 — CID 174900858

IUPAC3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1
InChIInChI=1S/C26H28/c1-6-20-11-13-21(14-12-20)24-15-25(23-10-8-7-9-22(23)24)26-18(4)16(2)17(3)19(26)5/h7-15,25-26H,6H2,1-5H3
InChIKeyKMHGRUOSNVITHP-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.08
Rot. Bonds3

About 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene

3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (PubChem CID 174900858) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
PubChem CID174900858
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1
InChIInChI=1S/C26H28/c1-6-20-11-13-21(14-12-20)24-15-25(23-10-8-7-9-22(23)24)26-18(4)16(2)17(3)19(26)5/h7-15,25-26H,6H2,1-5H3
InChIKeyKMHGRUOSNVITHP-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 174900861
diethyl-(3-phenyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307772
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
CID 87518738
CID 87518738
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The IUPAC name of 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (CID 174900858) is 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The canonical SMILES for 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is CCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The InChIKey is KMHGRUOSNVITHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-6-20-11-13-21(14-12-20)24-15-25(23-10-8-7-9-22(23)24)26-18(4)16(2)17(3)19(26)5/h7-15,25-26H,6H2,1-5H3.
What are the key properties of 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene has a molecular weight of 340.51 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is sourced from PubChem (CID 174900858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).