1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene

C27H28 — CID 140629889

IUPAC1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
SMILESCC1=Cc2ccccc2C1C(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C27H28/c1-17-10-18(2)13-23(12-17)27(24-14-19(3)11-20(4)15-24)26-21(5)16-22-8-6-7-9-25(22)26/h6-16,26-27H,1-5H3
InChIKeyBVVHGOJGFSRIQR-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.25
Rot. Bonds3

About 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene

1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene (PubChem CID 140629889) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene.

Molecular Properties

Compound Name1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
PubChem CID140629889
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
SMILESCC1=Cc2ccccc2C1C(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C27H28/c1-17-10-18(2)13-23(12-17)27(24-14-19(3)11-20(4)15-24)26-21(5)16-22-8-6-7-9-25(22)26/h6-16,26-27H,1-5H3
InChIKeyBVVHGOJGFSRIQR-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[bis(3,5-dimethylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 158843998
bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
1-methanidyl-2-methyl-1H-indene;zirconium
CID 173317989
tetrakis(2-methyl-1H-inden-1-yl)silane
CID 54395226
1-ethyl-2-methyl-1H-indene
CID 12910549
trimethyl-[(1S)-2-methyl-1H-inden-1-yl]silane
CID 99738416
[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-dimethyl-(2-methyl-1H-inden-1-yl)silane
CID 100983121
1-(1,1-diphenylethyl)-2-methyl-1H-indene
CID 140629859
chloro-tris(2-methyl-1H-inden-1-yl)silane
CID 54305128
1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 159789565
1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
CID 23015948
9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene
CID 177218837

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene?
The IUPAC name of 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene (CID 140629889) is 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene.
What is the SMILES notation for 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene?
The canonical SMILES for 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene is CC1=Cc2ccccc2C1C(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene?
The InChIKey is BVVHGOJGFSRIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-17-10-18(2)13-23(12-17)27(24-14-19(3)11-20(4)15-24)26-21(5)16-22-8-6-7-9-25(22)26/h6-16,26-27H,1-5H3.
What are the key properties of 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene?
1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene has a molecular weight of 352.52 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene is sourced from PubChem (CID 140629889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).