7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene

C25H32 — CID 123862995

IUPAC7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
SMILESCC1=Cc2c(C)ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2C1
InChIInChI=1S/C25H32/c1-16-11-22-17(2)9-10-21(23(22)12-16)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-11,13-15H,12H2,1-8H3
InChIKeyABPNCBWOPNYQAS-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.22
Rot. Bonds1

About 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene

7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene (PubChem CID 123862995) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene.

Molecular Properties

Compound Name7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
PubChem CID123862995
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
SMILESCC1=Cc2c(C)ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2C1
InChIInChI=1S/C25H32/c1-16-11-22-17(2)9-10-21(23(22)12-16)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-11,13-15H,12H2,1-8H3
InChIKeyABPNCBWOPNYQAS-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-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

4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene
CID 123867978
CID 71082782
CID 71082782
(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
CID 158797968
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
2,4-dimethyl-7-(1-methylcyclohexyl)-1H-indene
CID 56994043
7-(3,5-ditert-butylphenyl)-2,5-dimethyl-1H-indene;4-(3,5-ditert-butylphenyl)-1-methoxy-2,6-dimethyl-2,3-dihydro-1H-indene
CID 161421133
4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
CID 173016294
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene?
The IUPAC name of 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene (CID 123862995) is 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene.
What is the SMILES notation for 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene?
The canonical SMILES for 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene is CC1=Cc2c(C)ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2C1.
What is the InChIKey of 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene?
The InChIKey is ABPNCBWOPNYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-16-11-22-17(2)9-10-21(23(22)12-16)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-11,13-15H,12H2,1-8H3.
What are the key properties of 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene?
7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene has a molecular weight of 332.53 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene is sourced from PubChem (CID 123862995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).