1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene

C27H32 — CID 54456001

IUPAC1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
SMILESCC(C)(C)C1C(CC2=Cc3ccccc3C2C(C)(C)C)=Cc2ccccc21
InChIInChI=1S/C27H32/c1-26(2,3)24-20(15-18-11-7-9-13-22(18)24)17-21-16-19-12-8-10-14-23(19)25(21)27(4,5)6/h7-16,24-25H,17H2,1-6H3
InChIKeyWYFSPPNFKGUAFP-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.83
Rot. Bonds2

About 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene

1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene (PubChem CID 54456001) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene.

Molecular Properties

Compound Name1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
PubChem CID54456001
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
SMILESCC(C)(C)C1C(CC2=Cc3ccccc3C2C(C)(C)C)=Cc2ccccc21
InChIInChI=1S/C27H32/c1-26(2,3)24-20(15-18-11-7-9-13-22(18)24)17-21-16-19-12-8-10-14-23(19)25(21)27(4,5)6/h7-16,24-25H,17H2,1-6H3
InChIKeyWYFSPPNFKGUAFP-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
1-(1,1-diphenylethyl)-2-methyl-1H-indene
CID 140629859
1,2-diethyl-1H-indene
CID 54262428
(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683
1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
CID 173041020
[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
CID 87871084
CID 11112856
CID 11112856
2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
CID 141043796
8-tert-butyltetracyclo[13.1.1.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 155609294
dimethyl-bis(2-propyl-1H-inden-1-yl)silane
CID 154141035
9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene
CID 162498935

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene?
The IUPAC name of 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene (CID 54456001) is 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene.
What is the SMILES notation for 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene?
The canonical SMILES for 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene is CC(C)(C)C1C(CC2=Cc3ccccc3C2C(C)(C)C)=Cc2ccccc21.
What is the InChIKey of 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene?
The InChIKey is WYFSPPNFKGUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-26(2,3)24-20(15-18-11-7-9-13-22(18)24)17-21-16-19-12-8-10-14-23(19)25(21)27(4,5)6/h7-16,24-25H,17H2,1-6H3.
What are the key properties of 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene?
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene has a molecular weight of 356.55 g/mol, XLogP of 7.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene is sourced from PubChem (CID 54456001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).