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

C52H34N2O — CID 155116790

IUPAC4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C52H34N2O/c1-2-16-51-49(15-1)50-34-45(17-18-52(50)55-51)48-32-46(43-13-5-11-41(29-43)39-9-3-7-37(27-39)35-19-23-53-24-20-35)31-47(33-48)44-14-6-12-42(30-44)40-10-4-8-38(28-40)36-21-25-54-26-22-36/h1-34H
InChIKeyXKQYUGIUNYJYCU-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.05
Rot. Bonds7

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

4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 155116790) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID155116790
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C52H34N2O/c1-2-16-51-49(15-1)50-34-45(17-18-52(50)55-51)48-32-46(43-13-5-11-41(29-43)39-9-3-7-37(27-39)35-19-23-53-24-20-35)31-47(33-48)44-14-6-12-42(30-44)40-10-4-8-38(28-40)36-21-25-54-26-22-36/h1-34H
InChIKeyXKQYUGIUNYJYCU-UHFFFAOYSA-N
XLogP14.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
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
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130262615
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 155116790) is 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is c1cc(-c2ccncc2)cc(-c2cccc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1.
What is the InChIKey of 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is XKQYUGIUNYJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-16-51-49(15-1)50-34-45(17-18-52(50)55-51)48-32-46(43-13-5-11-41(29-43)39-9-3-7-37(27-39)35-19-23-53-24-20-35)31-47(33-48)44-14-6-12-42(30-44)40-10-4-8-38(28-40)36-21-25-54-26-22-36/h1-34H.
What are the key properties of 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 702.86 g/mol, XLogP of 14.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 155116790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).