5-fluoro-1,3-diphenylisoquinoline

C21H14FN — CID 146316578

IUPAC5-fluoro-1,3-diphenylisoquinoline
SMILESFc1cccc2c(-c3ccccc3)nc(-c3ccccc3)cc12
InChIInChI=1S/C21H14FN/c22-19-13-7-12-17-18(19)14-20(15-8-3-1-4-9-15)23-21(17)16-10-5-2-6-11-16/h1-14H
InChIKeyNWDPXYDXPPLSKQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP5.71
Rot. Bonds2

About 5-fluoro-1,3-diphenylisoquinoline

5-fluoro-1,3-diphenylisoquinoline (PubChem CID 146316578) has the molecular formula C21H14FN and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-fluoro-1,3-diphenylisoquinoline.

Molecular Properties

Compound Name5-fluoro-1,3-diphenylisoquinoline
PubChem CID146316578
Molecular FormulaC21H14FN
Molecular Weight299.35 g/mol
Exact Mass299.11
IUPAC Name5-fluoro-1,3-diphenylisoquinoline
SMILESFc1cccc2c(-c3ccccc3)nc(-c3ccccc3)cc12
InChIInChI=1S/C21H14FN/c22-19-13-7-12-17-18(19)14-20(15-8-3-1-4-9-15)23-21(17)16-10-5-2-6-11-16/h1-14H
InChIKeyNWDPXYDXPPLSKQ-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.35
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(18F)fluoro-2-phenylquinoline
CID 155642613
21-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474888
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 167237127
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
CID 58692908
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074
1-(8-fluoro-2-phenylquinolin-4-yl)piperidine-4-carboxamide
CID 70458673
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
5-methyl-3-phenylisoquinolin-1-amine
CID 58517503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-diphenylisoquinoline?
The IUPAC name of 5-fluoro-1,3-diphenylisoquinoline (CID 146316578) is 5-fluoro-1,3-diphenylisoquinoline.
What is the SMILES notation for 5-fluoro-1,3-diphenylisoquinoline?
The canonical SMILES for 5-fluoro-1,3-diphenylisoquinoline is Fc1cccc2c(-c3ccccc3)nc(-c3ccccc3)cc12.
What is the InChIKey of 5-fluoro-1,3-diphenylisoquinoline?
The InChIKey is NWDPXYDXPPLSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN/c22-19-13-7-12-17-18(19)14-20(15-8-3-1-4-9-15)23-21(17)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 5-fluoro-1,3-diphenylisoquinoline?
5-fluoro-1,3-diphenylisoquinoline has a molecular weight of 299.35 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-diphenylisoquinoline is sourced from PubChem (CID 146316578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).