1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene

C22H13BrF2 — CID 177290273

IUPAC1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene
SMILESFc1cc(F)c(-c2cccc3c(-c4ccccc4)cccc23)cc1Br
InChIInChI=1S/C22H13BrF2/c23-20-12-19(21(24)13-22(20)25)18-11-5-9-16-15(8-4-10-17(16)18)14-6-2-1-3-7-14/h1-13H
InChIKeyMSGQEDBKKJRONL-UHFFFAOYSA-N
MW395.25 g/mol
LogP7.21
Rot. Bonds2

About 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene

1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene (PubChem CID 177290273) has the molecular formula C22H13BrF2 and a molecular weight of 395.25 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene
PubChem CID177290273
Molecular FormulaC22H13BrF2
Molecular Weight395.25 g/mol
Exact Mass394.02
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene
SMILESFc1cc(F)c(-c2cccc3c(-c4ccccc4)cccc23)cc1Br
InChIInChI=1S/C22H13BrF2/c23-20-12-19(21(24)13-22(20)25)18-11-5-9-16-15(8-4-10-17(16)18)14-6-2-1-3-7-14/h1-13H
InChIKeyMSGQEDBKKJRONL-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.25
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-dibromo-2,4-difluorobenzene;1,5-difluoro-2,4-bis[2-methoxy-3-(3-phenylphenyl)phenyl]benzene;methane;[2-methoxy-3-(3-phenylphenyl)phenyl]boronic acid
CID 158649476
1-bromo-4,5-difluoro-2-(3-phenyl-2-prop-2-enoxyphenyl)benzene
CID 139964980
2-bromo-1,5-diphenylnaphthalene
CID 151219603
1-fluoro-4-phenylnaphthalene
CID 46314926
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
CID 175687151
2-bromo-4-fluoro-1-phenylnaphthalene
CID 86191428
1-(2-bromophenyl)-3-deuterio-2,4,5-triphenylbenzene
CID 175805471

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene (CID 177290273) is 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene is Fc1cc(F)c(-c2cccc3c(-c4ccccc4)cccc23)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene?
The InChIKey is MSGQEDBKKJRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF2/c23-20-12-19(21(24)13-22(20)25)18-11-5-9-16-15(8-4-10-17(16)18)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene?
1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene has a molecular weight of 395.25 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene is sourced from PubChem (CID 177290273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).