5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene

C29H40 — CID 87702668

IUPAC5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene
SMILESCC(C)CC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C(C)C)cc(C(C)C)c2)C1
InChIInChI=1S/C29H40/c1-18(2)12-21-13-22-10-11-27(29(7,8)9)28(26(22)14-21)25-16-23(19(3)4)15-24(17-25)20(5)6/h10-11,14-20H,12-13H2,1-9H3
InChIKeyUZVGAOBUZXFNFR-UHFFFAOYSA-N
MW388.64 g/mol
LogP8.88
Rot. Bonds5

About 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene

5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene (PubChem CID 87702668) has the molecular formula C29H40 and a molecular weight of 388.64 g/mol. Its IUPAC name is 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene
PubChem CID87702668
Molecular FormulaC29H40
Molecular Weight388.64 g/mol
Exact Mass388.31
IUPAC Name5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene
SMILESCC(C)CC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C(C)C)cc(C(C)C)c2)C1
InChIInChI=1S/C29H40/c1-18(2)12-21-13-22-10-11-27(29(7,8)9)28(26(22)14-21)25-16-23(19(3)4)15-24(17-25)20(5)6/h10-11,14-20H,12-13H2,1-9H3
InChIKeyUZVGAOBUZXFNFR-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene?
The IUPAC name of 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene (CID 87702668) is 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene.
What is the SMILES notation for 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene?
The canonical SMILES for 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene is CC(C)CC1=Cc2c(ccc(C(C)(C)C)c2-c2cc(C(C)C)cc(C(C)C)c2)C1.
What is the InChIKey of 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene?
The InChIKey is UZVGAOBUZXFNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40/c1-18(2)12-21-13-22-10-11-27(29(7,8)9)28(26(22)14-21)25-16-23(19(3)4)15-24(17-25)20(5)6/h10-11,14-20H,12-13H2,1-9H3.
What are the key properties of 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene?
5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene has a molecular weight of 388.64 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[3,5-di(propan-2-yl)phenyl]-2-(2-methylpropyl)-1H-indene is sourced from PubChem (CID 87702668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).