2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene

C26H26 — CID 173016314

IUPAC2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
SMILESCC(C)(C)CC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1
InChIInChI=1S/C26H26/c1-26(2,3)18-19-16-24-22(20-10-6-4-7-11-20)14-15-23(25(24)17-19)21-12-8-5-9-13-21/h4-16H,17-18H2,1-3H3
InChIKeySDMWFKGVJSQTIF-UHFFFAOYSA-N
MW338.49 g/mol
LogP7.40
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene

2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene (PubChem CID 173016314) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
PubChem CID173016314
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
SMILESCC(C)(C)CC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1
InChIInChI=1S/C26H26/c1-26(2,3)18-19-16-24-22(20-10-6-4-7-11-20)14-15-23(25(24)17-19)21-12-8-5-9-13-21/h4-16H,17-18H2,1-3H3
InChIKeySDMWFKGVJSQTIF-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
CID 173016294
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
3-(2,2-dimethylpropyl)-4-phenylphenol
CID 91175347
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
CID 87070147
CID 87070147
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589
4,7-diphenyl-1H-indene
CID 14940861

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene?
The IUPAC name of 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene (CID 173016314) is 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene is CC(C)(C)CC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene?
The InChIKey is SDMWFKGVJSQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-26(2,3)18-19-16-24-22(20-10-6-4-7-11-20)14-15-23(25(24)17-19)21-12-8-5-9-13-21/h4-16H,17-18H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene?
2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene has a molecular weight of 338.49 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene is sourced from PubChem (CID 173016314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).