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

C26H26 — CID 87188383

IUPAC4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
SMILESCc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C26H26/c1-18-8-10-19(11-9-18)22-16-21-6-5-7-24(25(21)17-22)20-12-14-23(15-13-20)26(2,3)4/h5-15,17H,16H2,1-4H3
InChIKeyCEKFUMIENMIJCC-UHFFFAOYSA-N
MW338.49 g/mol
LogP7.06
Rot. Bonds2

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

4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene (PubChem CID 87188383) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
PubChem CID87188383
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
SMILESCc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2)cc1
InChIInChI=1S/C26H26/c1-18-8-10-19(11-9-18)22-16-21-6-5-7-24(25(21)17-22)20-12-14-23(15-13-20)26(2,3)4/h5-15,17H,16H2,1-4H3
InChIKeyCEKFUMIENMIJCC-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
2,4-bis(2-methylphenyl)-1H-indene
CID 139712954
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420391
2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420453
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
1-tert-butyl-4-methylbenzene
CID 163486601
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene (CID 87188383) is 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene is Cc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene?
The InChIKey is CEKFUMIENMIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-18-8-10-19(11-9-18)22-16-21-6-5-7-24(25(21)17-22)20-12-14-23(15-13-20)26(2,3)4/h5-15,17H,16H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene?
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene has a molecular weight of 338.49 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene is sourced from PubChem (CID 87188383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).