1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene

C28H30 — CID 160638448

IUPAC1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene
SMILESCc1cc(C)cc(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)c1
InChIInChI=1S/C28H30/c1-19-14-20(2)16-26(15-19)24-9-8-22(17-24)23-10-12-28-25(18-23)11-13-27(28)21-6-4-3-5-7-21/h9-18,21,27H,3-8H2,1-2H3
InChIKeyRIVUZSLCXMIICQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.86
Rot. Bonds3

About 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene

1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene (PubChem CID 160638448) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene
PubChem CID160638448
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene
SMILESCc1cc(C)cc(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)c1
InChIInChI=1S/C28H30/c1-19-14-20(2)16-26(15-19)24-9-8-22(17-24)23-10-12-28-25(18-23)11-13-27(28)21-6-4-3-5-7-21/h9-18,21,27H,3-8H2,1-2H3
InChIKeyRIVUZSLCXMIICQ-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol
CID 156522121
2-[4-[3-(1-cyclopentyl-1H-inden-5-yl)cyclopenta-1,3-dien-1-yl]phenyl]ethane-1,1-diol
CID 156522122
5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
CID 157426220
1-cyclohexyl-1H-indene
CID 13380096
5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
CID 158968883
5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
CID 159096324
3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
CID 156522095
1-cyclopentyl-5-[4-(4-ethylphenyl)cyclopenta-1,4-dien-1-yl]-1H-isoindole
CID 160597335
[5-[3-[4-(2-phenylethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522024
5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-ol
CID 156521847
[5-[3-[2-(hydroxymethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522181
7-[3-[1-(dihydroxymethyl)-1H-inden-5-yl]cyclopenta-1,3-dien-1-yl]-3,3-bis(hydroxymethyl)-2,4-dihydronaphthalen-1-one
CID 156522248

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene?
The IUPAC name of 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene (CID 160638448) is 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene.
What is the SMILES notation for 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene?
The canonical SMILES for 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene is Cc1cc(C)cc(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)c1.
What is the InChIKey of 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene?
The InChIKey is RIVUZSLCXMIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-19-14-20(2)16-26(15-19)24-9-8-22(17-24)23-10-12-28-25(18-23)11-13-27(28)21-6-4-3-5-7-21/h9-18,21,27H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene?
1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene has a molecular weight of 366.55 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene is sourced from PubChem (CID 160638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).