2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole

C25H20F3N — CID 162570083

IUPAC2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole
SMILESCC1=c2ccccc2=C2c3cc(C)ccc3N(Cc3ccccc3C(F)(F)F)C12
InChIInChI=1S/C25H20F3N/c1-15-11-12-22-20(13-15)23-19-9-5-4-8-18(19)16(2)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,24H,14H2,1-2H3
InChIKeyMRPRKIMGSLSZPQ-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.79
Rot. Bonds2

About 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole

2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole (PubChem CID 162570083) has the molecular formula C25H20F3N and a molecular weight of 391.44 g/mol. Its IUPAC name is 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole.

Molecular Properties

Compound Name2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole
PubChem CID162570083
Molecular FormulaC25H20F3N
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole
SMILESCC1=c2ccccc2=C2c3cc(C)ccc3N(Cc3ccccc3C(F)(F)F)C12
InChIInChI=1S/C25H20F3N/c1-15-11-12-22-20(13-15)23-19-9-5-4-8-18(19)16(2)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,24H,14H2,1-2H3
InChIKeyMRPRKIMGSLSZPQ-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b]indole
CID 134590402
(3S,6S)-1,3,6-trimethyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 165420173
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71977050
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole?
The IUPAC name of 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole (CID 162570083) is 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole.
What is the SMILES notation for 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole?
The canonical SMILES for 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole is CC1=c2ccccc2=C2c3cc(C)ccc3N(Cc3ccccc3C(F)(F)F)C12.
What is the InChIKey of 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole?
The InChIKey is MRPRKIMGSLSZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N/c1-15-11-12-22-20(13-15)23-19-9-5-4-8-18(19)16(2)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,24H,14H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole?
2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole has a molecular weight of 391.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-5aH-indeno[2,1-b]indole is sourced from PubChem (CID 162570083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).