2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine

C24H16FNO — CID 162707230

IUPAC2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
SMILESFc1ccnc(-c2ccc3oc4cccc(Cc5ccccc5)c4c3c2)c1
InChIInChI=1S/C24H16FNO/c25-19-11-12-26-21(15-19)17-9-10-22-20(14-17)24-18(7-4-8-23(24)27-22)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2
InChIKeyIFOCVXIXCIQCIB-UHFFFAOYSA-N
MW353.40 g/mol
LogP6.38
Rot. Bonds3

About 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine

2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine (PubChem CID 162707230) has the molecular formula C24H16FNO and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine.

Molecular Properties

Compound Name2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
PubChem CID162707230
Molecular FormulaC24H16FNO
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
SMILESFc1ccnc(-c2ccc3oc4cccc(Cc5ccccc5)c4c3c2)c1
InChIInChI=1S/C24H16FNO/c25-19-11-12-26-21(15-19)17-9-10-22-20(14-17)24-18(7-4-8-23(24)27-22)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2
InChIKeyIFOCVXIXCIQCIB-UHFFFAOYSA-N
XLogP6.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839
2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927151
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
11-benzyl-5,16-diphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004082
1-benzylxanthen-9-one
CID 18759523
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine?
The IUPAC name of 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine (CID 162707230) is 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine.
What is the SMILES notation for 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine?
The canonical SMILES for 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine is Fc1ccnc(-c2ccc3oc4cccc(Cc5ccccc5)c4c3c2)c1.
What is the InChIKey of 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine?
The InChIKey is IFOCVXIXCIQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO/c25-19-11-12-26-21(15-19)17-9-10-22-20(14-17)24-18(7-4-8-23(24)27-22)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2.
What are the key properties of 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine?
2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine has a molecular weight of 353.40 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine is sourced from PubChem (CID 162707230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).