2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene

C23H28 — CID 87188622

IUPAC2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C23H28/c1-22(2,3)18-12-10-16(11-13-18)20-9-7-8-17-14-19(15-21(17)20)23(4,5)6/h7-13,15H,14H2,1-6H3
InChIKeyCKJATYOBMOAAGG-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.64
Rot. Bonds1

About 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene

2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene (PubChem CID 87188622) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
PubChem CID87188622
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C23H28/c1-22(2,3)18-12-10-16(11-13-18)20-9-7-8-17-14-19(15-21(17)20)23(4,5)6/h7-13,15H,14H2,1-6H3
InChIKeyCKJATYOBMOAAGG-UHFFFAOYSA-N
XLogP6.64
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 ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-4-phenyl-1H-indene
CID 87188208
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
4-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1H-indene
CID 173192696
4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 160681776
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
CID 174516204
2-tert-butyl-1H-indene;zirconium
CID 159357994
1-[2-[2-(4-naphthalen-1-yl-1H-inden-2-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 18369872
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
7-(4-tert-butylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 140664493

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene?
The IUPAC name of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene (CID 87188622) is 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene.
What is the SMILES notation for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene?
The canonical SMILES for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene is CC(C)(C)C1=Cc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene?
The InChIKey is CKJATYOBMOAAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-22(2,3)18-12-10-16(11-13-18)20-9-7-8-17-14-19(15-21(17)20)23(4,5)6/h7-13,15H,14H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene?
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene has a molecular weight of 304.48 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene is sourced from PubChem (CID 87188622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).