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

C24H20F3N — CID 167050097

IUPAC8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)C1Cc3ccccc3C1N2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H20F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h2-12,20,23H,13-14H2,1H3
InChIKeyGCISBMCVYSEMEY-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.42
Rot. Bonds2

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

8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 167050097) has the molecular formula C24H20F3N and a molecular weight of 379.43 g/mol. Its IUPAC name is 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID167050097
Molecular FormulaC24H20F3N
Molecular Weight379.43 g/mol
Exact Mass379.15
IUPAC Name8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)C1Cc3ccccc3C1N2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H20F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h2-12,20,23H,13-14H2,1H3
InChIKeyGCISBMCVYSEMEY-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.42
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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 167050097) is 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole is Cc1ccc2c(c1)C1Cc3ccccc3C1N2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is GCISBMCVYSEMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h2-12,20,23H,13-14H2,1H3.
What are the key properties of 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole?
8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 379.43 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 167050097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).