6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine

C37H22Br2F3N3 — CID 5244160

IUPAC6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C37H22Br2F3N3/c38-25-14-16-31-29(19-25)28(22-8-3-1-4-9-22)21-33(44-31)35-34(23-10-5-2-6-11-23)30-20-26(39)15-17-32(30)45-36(35)43-27-13-7-12-24(18-27)37(40,41)42/h1-21H,(H,43,45)
InChIKeyBRVRTMDVCUHDLK-UHFFFAOYSA-N
MW725.41 g/mol
LogP12.07
Rot. Bonds5

About 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine

6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine (PubChem CID 5244160) has the molecular formula C37H22Br2F3N3 and a molecular weight of 725.41 g/mol. Its IUPAC name is 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
PubChem CID5244160
Molecular FormulaC37H22Br2F3N3
Molecular Weight725.41 g/mol
Exact Mass723.01
IUPAC Name6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C37H22Br2F3N3/c38-25-14-16-31-29(19-25)28(22-8-3-1-4-9-22)21-33(44-31)35-34(23-10-5-2-6-11-23)30-20-26(39)15-17-32(30)45-36(35)43-27-13-7-12-24(18-27)37(40,41)42/h1-21H,(H,43,45)
InChIKeyBRVRTMDVCUHDLK-UHFFFAOYSA-N
XLogP12.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.41
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine?
The IUPAC name of 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine (CID 5244160) is 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine.
What is the SMILES notation for 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine?
The canonical SMILES for 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine is FC(F)(F)c1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine?
The InChIKey is BRVRTMDVCUHDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22Br2F3N3/c38-25-14-16-31-29(19-25)28(22-8-3-1-4-9-22)21-33(44-31)35-34(23-10-5-2-6-11-23)30-20-26(39)15-17-32(30)45-36(35)43-27-13-7-12-24(18-27)37(40,41)42/h1-21H,(H,43,45).
What are the key properties of 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine?
6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine has a molecular weight of 725.41 g/mol, XLogP of 12.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine is sourced from PubChem (CID 5244160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).