1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane

C28H32 — CID 87399692

IUPAC1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
SMILESCC(C)C1=Cc2c(cccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1
InChIInChI=1S/C28H32/c1-18(2)24-13-23-4-3-5-26(27(23)14-24)22-6-8-25(9-7-22)28-15-19-10-20(16-28)12-21(11-19)17-28/h3-9,14,18-21H,10-13,15-17H2,1-2H3
InChIKeyWIQMGLRRSHVIFM-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.42
Rot. Bonds3

About 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane

1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane (PubChem CID 87399692) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane.

Molecular Properties

Compound Name1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
PubChem CID87399692
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
SMILESCC(C)C1=Cc2c(cccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1
InChIInChI=1S/C28H32/c1-18(2)24-13-23-4-3-5-26(27(23)14-24)22-6-8-25(9-7-22)28-15-19-10-20(16-28)12-21(11-19)17-28/h3-9,14,18-21H,10-13,15-17H2,1-2H3
InChIKeyWIQMGLRRSHVIFM-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964
1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane
CID 87521348
1-[4-[4-(1-adamantyl)-2-methylphenyl]phenyl]adamantane
CID 86630166
5-phenyl-4-(2-phenylphenyl)-2-propan-2-yl-1H-indene
CID 87703693
CID 87399691
CID 87399691
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
CID 23105539
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975
dimethylsilylidenezirconium(2+);1-[4-(2-methyl-1H-inden-1-id-4-yl)phenyl]adamantane;1-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]adamantane;dichloride
CID 158262342
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
CID 156756411
3-[4-(1-adamantyl)phenyl]-4-phenylaniline
CID 175848459
3-[4-(1-adamantyl)phenyl]-1-tert-butyl-6-phenyldibenzothiophene
CID 170925001

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane?
The IUPAC name of 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane (CID 87399692) is 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane.
What is the SMILES notation for 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane?
The canonical SMILES for 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane is CC(C)C1=Cc2c(cccc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1.
What is the InChIKey of 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane?
The InChIKey is WIQMGLRRSHVIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-18(2)24-13-23-4-3-5-26(27(23)14-24)22-6-8-25(9-7-22)28-15-19-10-20(16-28)12-21(11-19)17-28/h3-9,14,18-21H,10-13,15-17H2,1-2H3.
What are the key properties of 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane?
1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane has a molecular weight of 368.56 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane is sourced from PubChem (CID 87399692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).