2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene

C29H32 — CID 87142110

IUPAC2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1
InChIInChI=1S/C29H32/c1-6-7-8-23-17-28-26(24-13-19(2)11-20(3)14-24)9-10-27(29(28)18-23)25-15-21(4)12-22(5)16-25/h9-17H,6-8,18H2,1-5H3
InChIKeySKANABJRDOKQHC-UHFFFAOYSA-N
MW380.58 g/mol
LogP8.38
Rot. Bonds5

About 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene

2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene (PubChem CID 87142110) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene.

Molecular Properties

Compound Name2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
PubChem CID87142110
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
SMILESCCCCC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1
InChIInChI=1S/C29H32/c1-6-7-8-23-17-28-26(24-13-19(2)11-20(3)14-24)9-10-27(29(28)18-23)25-15-21(4)12-22(5)16-25/h9-17H,6-8,18H2,1-5H3
InChIKeySKANABJRDOKQHC-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-4-(3,5-dimethylphenyl)-5,6,7-trimethyl-1H-indene
CID 87984646
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884
2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
CID 87702765
2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
CID 173016314
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
4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
CID 87381428
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
CID 87381239
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene?
The IUPAC name of 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene (CID 87142110) is 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene.
What is the SMILES notation for 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene?
The canonical SMILES for 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene is CCCCC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1.
What is the InChIKey of 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene?
The InChIKey is SKANABJRDOKQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32/c1-6-7-8-23-17-28-26(24-13-19(2)11-20(3)14-24)9-10-27(29(28)18-23)25-15-21(4)12-22(5)16-25/h9-17H,6-8,18H2,1-5H3.
What are the key properties of 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene?
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene has a molecular weight of 380.58 g/mol, XLogP of 8.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene is sourced from PubChem (CID 87142110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).