1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane

C28H32 — CID 87521348

IUPAC1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane
SMILESCCC1=Cc2c(cc(C)cc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1
InChIInChI=1S/C28H32/c1-3-19-13-24-8-18(2)9-26(27(24)14-19)23-4-6-25(7-5-23)28-15-20-10-21(16-28)12-22(11-20)17-28/h4-9,14,20-22H,3,10-13,15-17H2,1-2H3
InChIKeyQMHOTJBPQQCCLX-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.48
Rot. Bonds3

About 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane

1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane (PubChem CID 87521348) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane.

Molecular Properties

Compound Name1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane
PubChem CID87521348
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane
SMILESCCC1=Cc2c(cc(C)cc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1
InChIInChI=1S/C28H32/c1-3-19-13-24-8-18(2)9-26(27(24)14-19)23-4-6-25(7-5-23)28-15-20-10-21(16-28)12-22(11-20)17-28/h4-9,14,20-22H,3,10-13,15-17H2,1-2H3
InChIKeyQMHOTJBPQQCCLX-UHFFFAOYSA-N
XLogP7.48
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 ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-(1-adamantyl)-2-methylphenyl]phenyl]adamantane
CID 86630166
1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
CID 87399692
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
1-[4-[2-(cyclohexylmethylidene)-6-methylinden-4-yl]phenyl]adamantane;zirconium
CID 174685239
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975
1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane
CID 169055147
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
3-[4-(1-adamantyl)phenyl]-4-phenylaniline
CID 175848459
5-(1-adamantyl)-2-methylaniline;hydrochloride
CID 75485274

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane?
The IUPAC name of 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane (CID 87521348) is 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane.
What is the SMILES notation for 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane?
The canonical SMILES for 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane is CCC1=Cc2c(cc(C)cc2-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1.
What is the InChIKey of 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane?
The InChIKey is QMHOTJBPQQCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-3-19-13-24-8-18(2)9-26(27(24)14-19)23-4-6-25(7-5-23)28-15-20-10-21(16-28)12-22(11-20)17-28/h4-9,14,20-22H,3,10-13,15-17H2,1-2H3.
What are the key properties of 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane?
1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane has a molecular weight of 368.56 g/mol, XLogP of 7.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-6-methyl-1H-inden-4-yl)phenyl]adamantane is sourced from PubChem (CID 87521348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).