4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene

C34H42 — CID 173016294

IUPAC4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
SMILESCC(C)(C)CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C34H42/c1-32(2,3)22-23-20-30-28(24-10-14-26(15-11-24)33(4,5)6)18-19-29(31(30)21-23)25-12-16-27(17-13-25)34(7,8)9/h10-20H,21-22H2,1-9H3
InChIKeyBETZVYPQQOQUPY-UHFFFAOYSA-N
MW450.71 g/mol
LogP9.99
Rot. Bonds3

About 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene

4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene (PubChem CID 173016294) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene.

Molecular Properties

Compound Name4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
PubChem CID173016294
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
SMILESCC(C)(C)CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C34H42/c1-32(2,3)22-23-20-30-28(24-10-14-26(15-11-24)33(4,5)6)18-19-29(31(30)21-23)25-12-16-27(17-13-25)34(7,8)9/h10-20H,21-22H2,1-9H3
InChIKeyBETZVYPQQOQUPY-UHFFFAOYSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
CID 173016314
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
CID 123862995

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene?
The IUPAC name of 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene (CID 173016294) is 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene.
What is the SMILES notation for 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene?
The canonical SMILES for 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene is CC(C)(C)CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1.
What is the InChIKey of 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene?
The InChIKey is BETZVYPQQOQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42/c1-32(2,3)22-23-20-30-28(24-10-14-26(15-11-24)33(4,5)6)18-19-29(31(30)21-23)25-12-16-27(17-13-25)34(7,8)9/h10-20H,21-22H2,1-9H3.
What are the key properties of 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene?
4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene has a molecular weight of 450.71 g/mol, XLogP of 9.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene is sourced from PubChem (CID 173016294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).