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

C28H32 — CID 174900861

IUPAC3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCCCCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1
InChIInChI=1S/C28H32/c1-6-7-10-22-13-15-23(16-14-22)26-17-27(25-12-9-8-11-24(25)26)28-20(4)18(2)19(3)21(28)5/h8-9,11-17,27-28H,6-7,10H2,1-5H3
InChIKeyVHSKBOKCHKDAIX-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.86
Rot. Bonds5

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

3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (PubChem CID 174900861) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.

Molecular Properties

Compound Name3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
PubChem CID174900861
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCCCCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1
InChIInChI=1S/C28H32/c1-6-7-10-22-13-15-23(16-14-22)26-17-27(25-12-9-8-11-24(25)26)28-20(4)18(2)19(3)21(28)5/h8-9,11-17,27-28H,6-7,10H2,1-5H3
InChIKeyVHSKBOKCHKDAIX-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-phenylbenzene;ethane
CID 143743409
diethyl-(3-phenyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307772
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
3-butyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)sulfanyl-1H-indene
CID 139502762
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-pentadecyl-4-phenylbenzene
CID 57166115
4-(4-butylphenyl)-2,6-dimethylpyrylium
CID 101036687
1-butyl-4-methylbenzene;phenol
CID 174834955
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
1-(4-butylphenyl)-1H-indene
CID 159304523
1-iodo-2-(4-octylphenyl)benzene
CID 87323299

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The IUPAC name of 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (CID 174900861) is 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.
What is the SMILES notation for 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The canonical SMILES for 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is CCCCc1ccc(C2=CC(C3C(C)=C(C)C(C)=C3C)c3ccccc32)cc1.
What is the InChIKey of 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The InChIKey is VHSKBOKCHKDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-6-7-10-22-13-15-23(16-14-22)26-17-27(25-12-9-8-11-24(25)26)28-20(4)18(2)19(3)21(28)5/h8-9,11-17,27-28H,6-7,10H2,1-5H3.
What are the key properties of 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene has a molecular weight of 368.56 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is sourced from PubChem (CID 174900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).