5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

C44H28F3N3 — CID 176668846

IUPAC5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H28F3N3/c45-44(46,47)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)48-37)50-40-21-8-6-19-38(40)49(32-14-2-1-3-15-32)39-20-7-9-22-41(39)50/h1-28H
InChIKeyAZXFOKLEWROHEH-UHFFFAOYSA-N
MW655.72 g/mol
LogP12.99
Rot. Bonds4

About 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668846) has the molecular formula C44H28F3N3 and a molecular weight of 655.72 g/mol. Its IUPAC name is 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668846
Molecular FormulaC44H28F3N3
Molecular Weight655.72 g/mol
Exact Mass655.22
IUPAC Name5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H28F3N3/c45-44(46,47)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)48-37)50-40-21-8-6-19-38(40)49(32-14-2-1-3-15-32)39-20-7-9-22-41(39)50/h1-28H
InChIKeyAZXFOKLEWROHEH-UHFFFAOYSA-N
XLogP12.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.72
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
CID 176669029
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
CID 176668908
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
2,9-dinaphthalen-1-yl-5,6,14,15-tetrakis[4-(trifluoromethyl)phenyl]-2,4,7,9,11,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3,5,7,10,12(17),13,15-octaene
CID 88895077
14-(4,6-diphenylpyrimidin-2-yl)-25-phenyl-18,25-diazaheptacyclo[16.11.1.02,11.03,8.012,17.019,24.026,30]triaconta-1(30),2(11),3,5,7,9,12(17),13,15,19,21,23,26,28-tetradecaene
CID 155183191
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683

Frequently Asked Questions

What is the IUPAC name of 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668846) is 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is FC(F)(F)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1.
What is the InChIKey of 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is AZXFOKLEWROHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F3N3/c45-44(46,47)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)48-37)50-40-21-8-6-19-38(40)49(32-14-2-1-3-15-32)39-20-7-9-22-41(39)50/h1-28H.
What are the key properties of 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine has a molecular weight of 655.72 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).