1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene

C25H28 — CID 139962826

IUPAC1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
SMILESCC1=Cc2c(C)cccc2C1C(C)(C)C1C(C)=Cc2c(C)cccc21
InChIInChI=1S/C25H28/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24/h7-14,23-24H,1-6H3
InChIKeyLSNBGWHPWOUIFE-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.03
Rot. Bonds2

About 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene

1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene (PubChem CID 139962826) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
PubChem CID139962826
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
SMILESCC1=Cc2c(C)cccc2C1C(C)(C)C1C(C)=Cc2c(C)cccc21
InChIInChI=1S/C25H28/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24/h7-14,23-24H,1-6H3
InChIKeyLSNBGWHPWOUIFE-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene?
The IUPAC name of 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene (CID 139962826) is 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene?
The canonical SMILES for 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene is CC1=Cc2c(C)cccc2C1C(C)(C)C1C(C)=Cc2c(C)cccc21.
What is the InChIKey of 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene?
The InChIKey is LSNBGWHPWOUIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-15-9-7-11-19-21(15)13-17(3)23(19)25(5,6)24-18(4)14-22-16(2)10-8-12-20(22)24/h7-14,23-24H,1-6H3.
What are the key properties of 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene?
1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene has a molecular weight of 328.50 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene is sourced from PubChem (CID 139962826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).