2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline

C21H10F5N — CID 15099821

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
SMILESFc1c(F)c(F)c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1F
InChIInChI=1S/C21H10F5N/c22-17-16(18(23)20(25)21(26)19(17)24)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)27-15/h1-10H
InChIKeyJAABHKHIMJLVKP-UHFFFAOYSA-N
MW371.31 g/mol
LogP6.26
Rot. Bonds2

About 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline

2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline (PubChem CID 15099821) has the molecular formula C21H10F5N and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
PubChem CID15099821
Molecular FormulaC21H10F5N
Molecular Weight371.31 g/mol
Exact Mass371.07
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
SMILESFc1c(F)c(F)c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1F
InChIInChI=1S/C21H10F5N/c22-17-16(18(23)20(25)21(26)19(17)24)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)27-15/h1-10H
InChIKeyJAABHKHIMJLVKP-UHFFFAOYSA-N
XLogP6.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
CID 8966170
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
4-(18F)fluoro-2-phenylquinoline
CID 155642613
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2,4-diphenylquinolin-7-ol
CID 137317331
CID 71229617
CID 71229617
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline (CID 15099821) is 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline is Fc1c(F)c(F)c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline?
The InChIKey is JAABHKHIMJLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F5N/c22-17-16(18(23)20(25)21(26)19(17)24)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)27-15/h1-10H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline?
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline has a molecular weight of 371.31 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline is sourced from PubChem (CID 15099821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).