6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline

C39H25FN2O — CID 158995914

IUPAC6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline
SMILESFc1ccc2nc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)ccc2c1
InChIInChI=1S/C39H25FN2O/c40-29-19-21-37-27(23-29)18-20-36(42-37)26-9-7-11-30(24-26)43-31-12-8-10-28(25-31)39(38-17-5-6-22-41-38)34-15-3-1-13-32(34)33-14-2-4-16-35(33)39/h1-25H
InChIKeyMZUVYBPCFNOHCP-UHFFFAOYSA-N
MW556.64 g/mol
LogP9.59
Rot. Bonds5

About 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline

6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline (PubChem CID 158995914) has the molecular formula C39H25FN2O and a molecular weight of 556.64 g/mol. Its IUPAC name is 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline
PubChem CID158995914
Molecular FormulaC39H25FN2O
Molecular Weight556.64 g/mol
Exact Mass556.20
IUPAC Name6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline
SMILESFc1ccc2nc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)ccc2c1
InChIInChI=1S/C39H25FN2O/c40-29-19-21-37-27(23-29)18-20-36(42-37)26-9-7-11-30(24-26)43-31-12-8-10-28(25-31)39(38-17-5-6-22-41-38)34-15-3-1-13-32(34)33-14-2-4-16-35(33)39/h1-25H
InChIKeyMZUVYBPCFNOHCP-UHFFFAOYSA-N
XLogP9.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline with MolForge

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Related Compounds

1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 10096191
8-(3-(2-(3-Methylcyclopenta-1,3-dienyl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 44405507
2-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)quinoline
CID 44447713
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339
6-Ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539332
6,7-Diethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539338
1-[[4-[4-(Quinolin-1-ium-1-ylmethyl)phenoxy]phenyl]methyl]quinolin-1-ium dibromide
CID 118735661
6-Fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene
CID 132849950
6-(3-methoxyphenyl)-7H-indeno[2,1-c][1,5]naphthyridine
CID 134155915

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline?
The IUPAC name of 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline (CID 158995914) is 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline.
What is the SMILES notation for 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline?
The canonical SMILES for 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline is Fc1ccc2nc(-c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)ccc2c1.
What is the InChIKey of 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline?
The InChIKey is MZUVYBPCFNOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25FN2O/c40-29-19-21-37-27(23-29)18-20-36(42-37)26-9-7-11-30(24-26)43-31-12-8-10-28(25-31)39(38-17-5-6-22-41-38)34-15-3-1-13-32(34)33-14-2-4-16-35(33)39/h1-25H.
What are the key properties of 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline?
6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline has a molecular weight of 556.64 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline is sourced from PubChem (CID 158995914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).