3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene

C33H36 — CID 22595452

IUPAC3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene
SMILESC1=C(C(C2CC2)C2CC2)c2ccccc2C1CC1C=C(C(C2CC2)C2CC2)c2ccccc21
InChIInChI=1S/C33H36/c1-3-7-28-26(5-1)24(18-30(28)32(20-9-10-20)21-11-12-21)17-25-19-31(29-8-4-2-6-27(25)29)33(22-13-14-22)23-15-16-23/h1-8,18-25,32-33H,9-17H2
InChIKeyDUOBMRAWPSNBDJ-UHFFFAOYSA-N
MW432.65 g/mol
LogP8.61
Rot. Bonds8

About 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene

3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene (PubChem CID 22595452) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene
PubChem CID22595452
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene
SMILESC1=C(C(C2CC2)C2CC2)c2ccccc2C1CC1C=C(C(C2CC2)C2CC2)c2ccccc21
InChIInChI=1S/C33H36/c1-3-7-28-26(5-1)24(18-30(28)32(20-9-10-20)21-11-12-21)17-25-19-31(29-8-4-2-6-27(25)29)33(22-13-14-22)23-15-16-23/h1-8,18-25,32-33H,9-17H2
InChIKeyDUOBMRAWPSNBDJ-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The IUPAC name of 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene (CID 22595452) is 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene.
What is the SMILES notation for 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The canonical SMILES for 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene is C1=C(C(C2CC2)C2CC2)c2ccccc2C1CC1C=C(C(C2CC2)C2CC2)c2ccccc21.
What is the InChIKey of 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The InChIKey is DUOBMRAWPSNBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36/c1-3-7-28-26(5-1)24(18-30(28)32(20-9-10-20)21-11-12-21)17-25-19-31(29-8-4-2-6-27(25)29)33(22-13-14-22)23-15-16-23/h1-8,18-25,32-33H,9-17H2.
What are the key properties of 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene has a molecular weight of 432.65 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene is sourced from PubChem (CID 22595452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).