8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole

C25H22F3N — CID 146647026

IUPAC8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)C1C(C)c3ccccc3C1N2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H22F3N/c1-15-11-12-22-20(13-15)23-16(2)18-8-4-5-9-19(18)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,16,23-24H,14H2,1-2H3
InChIKeyXIGHLRBWXSCAMA-UHFFFAOYSA-N
MW393.45 g/mol
LogP6.98
Rot. Bonds2

About 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole

8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 146647026) has the molecular formula C25H22F3N and a molecular weight of 393.45 g/mol. Its IUPAC name is 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID146647026
Molecular FormulaC25H22F3N
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)C1C(C)c3ccccc3C1N2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H22F3N/c1-15-11-12-22-20(13-15)23-16(2)18-8-4-5-9-19(18)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,16,23-24H,14H2,1-2H3
InChIKeyXIGHLRBWXSCAMA-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_indane(1)', 'substructure': 'N/A'}

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Related Compounds

8-Isopropyl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
CID 15944980
9-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 46902436
3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine
CID 171358770
7-(2,2-Diphenylvinyl)-4-phenyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 20640981
4b,5,9b,10-Tetrahydro-8-isopropylindeno[1,2-b]indole
CID 4113271
trans-5,6,7,8,8a,9-Hexahydro-8a,9-dimethyl-3-[4-(trifluoromethyl)phenyl]-4bh-carbazole
CID 129838137
(2S)-1,5-dimethyl-2-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-2,3-dihydroindole
CID 135034968
2-[4-Phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
CID 139231280
(2R,10R)-9-(2-methylpropyl)-4-(trifluoromethyl)-9-azatetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene
CID 155935909
3-[(2s)-2-Fluoro-2-methyl-1-indanylidene]-1-methyl-2-methylindole
CID 168356050
4,7-Dimethyl-1,2,3,3a,4,8b-hexahydro-cyclopenta[b]indole
CID 58308970
1-Benzyl-5-methyl-6-(trifluoromethyl)indoline
CID 9904112

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 146647026) is 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole is Cc1ccc2c(c1)C1C(C)c3ccccc3C1N2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is XIGHLRBWXSCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N/c1-15-11-12-22-20(13-15)23-16(2)18-8-4-5-9-19(18)24(23)29(22)14-17-7-3-6-10-21(17)25(26,27)28/h3-13,16,23-24H,14H2,1-2H3.
What are the key properties of 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 393.45 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 146647026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).