1-(3,5-ditert-butylphenyl)-1H-indene

C23H28 — CID 22613659

IUPAC1-(3,5-ditert-butylphenyl)-1H-indene
SMILESCC(C)(C)c1cc(C2C=Cc3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C23H28/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-11-16-9-7-8-10-20(16)21/h7-15,21H,1-6H3
InChIKeyIVPVFOKUFQDRTF-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.44
Rot. Bonds1

About 1-(3,5-ditert-butylphenyl)-1H-indene

1-(3,5-ditert-butylphenyl)-1H-indene (PubChem CID 22613659) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)-1H-indene.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)-1H-indene
PubChem CID22613659
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-(3,5-ditert-butylphenyl)-1H-indene
SMILESCC(C)(C)c1cc(C2C=Cc3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C23H28/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-11-16-9-7-8-10-20(16)21/h7-15,21H,1-6H3
InChIKeyIVPVFOKUFQDRTF-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
(1S)-1-phenyl-1H-indene
CID 86309914
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
diiodotitanium;1-phenyl-1H-indene
CID 174711312
2-hydroxy-1-[4-(1H-inden-1-yl)phenyl]-2-methylpropan-1-one
CID 155761973
1-(3-ethylphenyl)-1H-indene
CID 87675189
1-(2-methoxyphenyl)-1H-indene
CID 15345370
CID 173308465
CID 173308465
2-(1H-inden-1-yl)-1-methylphosphole
CID 21095601
2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87501421
1-(4-butylphenyl)-1H-indene
CID 159304523

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)-1H-indene?
The IUPAC name of 1-(3,5-ditert-butylphenyl)-1H-indene (CID 22613659) is 1-(3,5-ditert-butylphenyl)-1H-indene.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)-1H-indene?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)-1H-indene is CC(C)(C)c1cc(C2C=Cc3ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)-1H-indene?
The InChIKey is IVPVFOKUFQDRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-11-16-9-7-8-10-20(16)21/h7-15,21H,1-6H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)-1H-indene?
1-(3,5-ditert-butylphenyl)-1H-indene has a molecular weight of 304.48 g/mol, XLogP of 6.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)-1H-indene is sourced from PubChem (CID 22613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).