3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine

C47H37NO2 — CID 59411998

IUPAC3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine
SMILESc1cc(CCCc2ccc3oc4ccccc4c3c2)cc(-c2cncc(-c3cccc(CCCc4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C47H37NO2/c1-3-19-44-40(17-1)42-27-34(21-23-46(42)49-44)11-5-9-32-13-7-15-36(25-32)38-29-39(31-48-30-38)37-16-8-14-33(26-37)10-6-12-35-22-24-47-43(28-35)41-18-2-4-20-45(41)50-47/h1-4,7-8,13-31H,5-6,9-12H2
InChIKeyDFXMUWYEXUBRSG-UHFFFAOYSA-N
MW647.82 g/mol
LogP12.56
Rot. Bonds10

About 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine

3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine (PubChem CID 59411998) has the molecular formula C47H37NO2 and a molecular weight of 647.82 g/mol. Its IUPAC name is 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine
PubChem CID59411998
Molecular FormulaC47H37NO2
Molecular Weight647.82 g/mol
Exact Mass647.28
IUPAC Name3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine
SMILESc1cc(CCCc2ccc3oc4ccccc4c3c2)cc(-c2cncc(-c3cccc(CCCc4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C47H37NO2/c1-3-19-44-40(17-1)42-27-34(21-23-46(42)49-44)11-5-9-32-13-7-15-36(25-32)38-29-39(31-48-30-38)37-16-8-14-33(26-37)10-6-12-35-22-24-47-43(28-35)41-18-2-4-20-45(41)50-47/h1-4,7-8,13-31H,5-6,9-12H2
InChIKeyDFXMUWYEXUBRSG-UHFFFAOYSA-N
XLogP12.56
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
2-dibenzofuran-2-ylethanol
CID 567048
2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 137465836
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine?
The IUPAC name of 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine (CID 59411998) is 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine.
What is the SMILES notation for 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine?
The canonical SMILES for 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine is c1cc(CCCc2ccc3oc4ccccc4c3c2)cc(-c2cncc(-c3cccc(CCCc4ccc5oc6ccccc6c5c4)c3)c2)c1.
What is the InChIKey of 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine?
The InChIKey is DFXMUWYEXUBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37NO2/c1-3-19-44-40(17-1)42-27-34(21-23-46(42)49-44)11-5-9-32-13-7-15-36(25-32)38-29-39(31-48-30-38)37-16-8-14-33(26-37)10-6-12-35-22-24-47-43(28-35)41-18-2-4-20-45(41)50-47/h1-4,7-8,13-31H,5-6,9-12H2.
What are the key properties of 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine?
3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine has a molecular weight of 647.82 g/mol, XLogP of 12.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine is sourced from PubChem (CID 59411998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).