6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene

C29H20F2 — CID 163363207

IUPAC6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene
SMILESFc1cccc(Cc2cc3cc(F)ccc3c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C29H20F2/c30-25-13-7-8-20(17-25)16-24-18-23-19-26(31)14-15-27(23)29(22-11-5-2-6-12-22)28(24)21-9-3-1-4-10-21/h1-15,17-19H,16H2
InChIKeyVBHMUFPOYQNHTO-UHFFFAOYSA-N
MW406.48 g/mol
LogP8.04
Rot. Bonds4

About 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene

6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene (PubChem CID 163363207) has the molecular formula C29H20F2 and a molecular weight of 406.48 g/mol. Its IUPAC name is 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene.

Molecular Properties

Compound Name6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene
PubChem CID163363207
Molecular FormulaC29H20F2
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene
SMILESFc1cccc(Cc2cc3cc(F)ccc3c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C29H20F2/c30-25-13-7-8-20(17-25)16-24-18-23-19-26(31)14-15-27(23)29(22-11-5-2-6-12-22)28(24)21-9-3-1-4-10-21/h1-15,17-19H,16H2
InChIKeyVBHMUFPOYQNHTO-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 105453525
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CID 174588625
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6-fluoro-2,3,9,10-tetraphenyl-15-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 132561638
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
7,25-bis(3-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,25-bis(4-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(3-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,32-bis(4-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158165747
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene?
The IUPAC name of 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene (CID 163363207) is 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene.
What is the SMILES notation for 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene?
The canonical SMILES for 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene is Fc1cccc(Cc2cc3cc(F)ccc3c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene?
The InChIKey is VBHMUFPOYQNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2/c30-25-13-7-8-20(17-25)16-24-18-23-19-26(31)14-15-27(23)29(22-11-5-2-6-12-22)28(24)21-9-3-1-4-10-21/h1-15,17-19H,16H2.
What are the key properties of 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene?
6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene has a molecular weight of 406.48 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene is sourced from PubChem (CID 163363207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).