3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene

C31H36 — CID 22595432

IUPAC3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1C=C(C2CCCC2)c2ccccc21)C1C=C(C2CCCC2)c2ccccc21
InChIInChI=1S/C31H36/c1-31(2,29-19-27(21-11-3-4-12-21)23-15-7-9-17-25(23)29)30-20-28(22-13-5-6-14-22)24-16-8-10-18-26(24)30/h7-10,15-22,29-30H,3-6,11-14H2,1-2H3
InChIKeyVEJOZZROPMWDTG-UHFFFAOYSA-N
MW408.63 g/mol
LogP8.75
Rot. Bonds4

About 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene

3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene (PubChem CID 22595432) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
PubChem CID22595432
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1C=C(C2CCCC2)c2ccccc21)C1C=C(C2CCCC2)c2ccccc21
InChIInChI=1S/C31H36/c1-31(2,29-19-27(21-11-3-4-12-21)23-15-7-9-17-25(23)29)30-20-28(22-13-5-6-14-22)24-16-8-10-18-26(24)30/h7-10,15-22,29-30H,3-6,11-14H2,1-2H3
InChIKeyVEJOZZROPMWDTG-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The IUPAC name of 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene (CID 22595432) is 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene is CC(C)(C1C=C(C2CCCC2)c2ccccc21)C1C=C(C2CCCC2)c2ccccc21.
What is the InChIKey of 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The InChIKey is VEJOZZROPMWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36/c1-31(2,29-19-27(21-11-3-4-12-21)23-15-7-9-17-25(23)29)30-20-28(22-13-5-6-14-22)24-16-8-10-18-26(24)30/h7-10,15-22,29-30H,3-6,11-14H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene has a molecular weight of 408.63 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(3-cyclopentyl-1H-inden-1-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 22595432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).