3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole

C20H15F3N2 — CID 71195466

IUPAC3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(-c4ccccc4)c3c2c1
InChIInChI=1S/C20H15F3N2/c1-11-8-15-17-14(13-6-4-3-5-7-13)9-16(20(21,22)23)12(2)18(17)25-19(15)24-10-11/h3-10H,1-2H3,(H,24,25)
InChIKeySFBBCZZEFPPYIS-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.02
Rot. Bonds1

About 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole

3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole (PubChem CID 71195466) has the molecular formula C20H15F3N2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole
PubChem CID71195466
Molecular FormulaC20H15F3N2
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(-c4ccccc4)c3c2c1
InChIInChI=1S/C20H15F3N2/c1-11-8-15-17-14(13-6-4-3-5-7-13)9-16(20(21,22)23)12(2)18(17)25-19(15)24-10-11/h3-10H,1-2H3,(H,24,25)
InChIKeySFBBCZZEFPPYIS-UHFFFAOYSA-N
XLogP6.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole (CID 71195466) is 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole is Cc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(-c4ccccc4)c3c2c1.
What is the InChIKey of 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The InChIKey is SFBBCZZEFPPYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2/c1-11-8-15-17-14(13-6-4-3-5-7-13)9-16(20(21,22)23)12(2)18(17)25-19(15)24-10-11/h3-10H,1-2H3,(H,24,25).
What are the key properties of 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole?
3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole has a molecular weight of 340.35 g/mol, XLogP of 6.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-phenyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 71195466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).