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

C27H32 — CID 22595380

IUPAC3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC(C)C1=CC(C(C)(C)C2C=C(C(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H32/c1-17(2)23-15-25(21-13-9-7-11-19(21)23)27(5,6)26-16-24(18(3)4)20-12-8-10-14-22(20)26/h7-18,25-26H,1-6H3
InChIKeyIUOGIJDSHHVVME-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.69
Rot. Bonds4

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

3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene (PubChem CID 22595380) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene
PubChem CID22595380
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC(C)C1=CC(C(C)(C)C2C=C(C(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H32/c1-17(2)23-15-25(21-13-9-7-11-19(21)23)27(5,6)26-16-24(18(3)4)20-12-8-10-14-22(20)26/h7-18,25-26H,1-6H3
InChIKeyIUOGIJDSHHVVME-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The IUPAC name of 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene (CID 22595380) is 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene is CC(C)C1=CC(C(C)(C)C2C=C(C(C)C)c3ccccc32)c2ccccc21.
What is the InChIKey of 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The InChIKey is IUOGIJDSHHVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-17(2)23-15-25(21-13-9-7-11-19(21)23)27(5,6)26-16-24(18(3)4)20-12-8-10-14-22(20)26/h7-18,25-26H,1-6H3.
What are the key properties of 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene?
3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene has a molecular weight of 356.55 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 22595380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).