4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene

C25H32 — CID 87188884

IUPAC4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
SMILESCCCCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c2C1
InChIInChI=1S/C25H32/c1-6-7-8-9-19-16-23-18(2)10-15-22(24(23)17-19)20-11-13-21(14-12-20)25(3,4)5/h10-15,17H,6-9,16H2,1-5H3
InChIKeyAQNWJTNRNKAHHV-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.48
Rot. Bonds5

About 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene

4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene (PubChem CID 87188884) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
PubChem CID87188884
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
SMILESCCCCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c2C1
InChIInChI=1S/C25H32/c1-6-7-8-9-19-16-23-18(2)10-15-22(24(23)17-19)20-11-13-21(14-12-20)25(3,4)5/h10-15,17H,6-9,16H2,1-5H3
InChIKeyAQNWJTNRNKAHHV-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
CID 173016294
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 171457404
2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
CID 173016314
1-tert-butyl-4-undecylbenzene
CID 162402478
2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
CID 87702765
CID 91311200
CID 91311200

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene?
The IUPAC name of 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene (CID 87188884) is 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene?
The canonical SMILES for 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene is CCCCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c2C1.
What is the InChIKey of 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene?
The InChIKey is AQNWJTNRNKAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-6-7-8-9-19-16-23-18(2)10-15-22(24(23)17-19)20-11-13-21(14-12-20)25(3,4)5/h10-15,17H,6-9,16H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene?
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene has a molecular weight of 332.53 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene is sourced from PubChem (CID 87188884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).