5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C39H24F3N5 — CID 59480396

IUPAC5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7ncccc76)n5)n4)n3)cc2)cc1
InChIInChI=1S/C39H24F3N5/c40-39(41,42)28-22-20-26(21-23-28)25-16-18-27(19-17-25)30-8-3-9-31(44-30)32-10-4-11-33(45-32)34-12-5-15-37(46-34)47-35-13-2-1-7-29(35)38-36(47)14-6-24-43-38/h1-24H
InChIKeyPJINZAXJGDMLNB-UHFFFAOYSA-N
MW619.65 g/mol
LogP10.05
Rot. Bonds5

About 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480396) has the molecular formula C39H24F3N5 and a molecular weight of 619.65 g/mol. Its IUPAC name is 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480396
Molecular FormulaC39H24F3N5
Molecular Weight619.65 g/mol
Exact Mass619.20
IUPAC Name5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7ncccc76)n5)n4)n3)cc2)cc1
InChIInChI=1S/C39H24F3N5/c40-39(41,42)28-22-20-26(21-23-28)25-16-18-27(19-17-25)30-8-3-9-31(44-30)32-10-4-11-33(45-32)34-12-5-15-37(46-34)47-35-13-2-1-7-29(35)38-36(47)14-6-24-43-38/h1-24H
InChIKeyPJINZAXJGDMLNB-UHFFFAOYSA-N
XLogP10.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.65
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480396) is 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is FC(F)(F)c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7ncccc76)n5)n4)n3)cc2)cc1.
What is the InChIKey of 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is PJINZAXJGDMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F3N5/c40-39(41,42)28-22-20-26(21-23-28)25-16-18-27(19-17-25)30-8-3-9-31(44-30)32-10-4-11-33(45-32)34-12-5-15-37(46-34)47-35-13-2-1-7-29(35)38-36(47)14-6-24-43-38/h1-24H.
What are the key properties of 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 619.65 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).