2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine

C40H26N2O — CID 171760904

IUPAC2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)cn2)cc1
InChIInChI=1S/C40H26N2O/c1-3-10-27(11-4-1)34-15-7-17-36-37-18-8-16-35(40(37)43-39(34)36)33-23-31(29-14-9-21-41-25-29)22-32(24-33)30-19-20-38(42-26-30)28-12-5-2-6-13-28/h1-26H
InChIKeyTUIRXNXPTOBPJI-UHFFFAOYSA-N
MW550.66 g/mol
LogP10.71
Rot. Bonds5

About 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine

2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine (PubChem CID 171760904) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
PubChem CID171760904
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)cn2)cc1
InChIInChI=1S/C40H26N2O/c1-3-10-27(11-4-1)34-15-7-17-36-37-18-8-16-35(40(37)43-39(34)36)33-23-31(29-14-9-21-41-25-29)22-32(24-33)30-19-20-38(42-26-30)28-12-5-2-6-13-28/h1-26H
InChIKeyTUIRXNXPTOBPJI-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-5-[3-(6-naphthalen-2-yl-3-pyridinyl)-5-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171760945
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 171761000
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
CID 171761037
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089
2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 175610988
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine (CID 171760904) is 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is TUIRXNXPTOBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-3-10-27(11-4-1)34-15-7-17-36-37-18-8-16-35(40(37)43-39(34)36)33-23-31(29-14-9-21-41-25-29)22-32(24-33)30-19-20-38(42-26-30)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine?
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 550.66 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 171760904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).