2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole

C36H22N2O2 — CID 171760846

IUPAC2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)nc2c1
InChIInChI=1S/C36H22N2O2/c1-2-10-33-32(9-1)38-36(39-33)27-17-15-26(16-18-27)29-6-4-8-31-30-7-3-5-28(34(30)40-35(29)31)25-13-11-23(12-14-25)24-19-21-37-22-20-24/h1-22H
InChIKeyGDXJIYSFWQCPMH-UHFFFAOYSA-N
MW514.58 g/mol
LogP9.79
Rot. Bonds4

About 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole

2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole (PubChem CID 171760846) has the molecular formula C36H22N2O2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
PubChem CID171760846
Molecular FormulaC36H22N2O2
Molecular Weight514.58 g/mol
Exact Mass514.17
IUPAC Name2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)nc2c1
InChIInChI=1S/C36H22N2O2/c1-2-10-33-32(9-1)38-36(39-33)27-17-15-26(16-18-27)29-6-4-8-31-30-7-3-5-28(34(30)40-35(29)31)25-13-11-23(12-14-25)24-19-21-37-22-20-24/h1-22H
InChIKeyGDXJIYSFWQCPMH-UHFFFAOYSA-N
XLogP9.79
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
CID 146548892
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-pyridin-4-ylaniline
CID 169061430
2-(3-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazole
CID 91529212
2-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
CID 146513479
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole (CID 171760846) is 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole is c1ccc2oc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)nc2c1.
What is the InChIKey of 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The InChIKey is GDXJIYSFWQCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2/c1-2-10-33-32(9-1)38-36(39-33)27-17-15-26(16-18-27)29-6-4-8-31-30-7-3-5-28(34(30)40-35(29)31)25-13-11-23(12-14-25)24-19-21-37-22-20-24/h1-22H.
What are the key properties of 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole has a molecular weight of 514.58 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 171760846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).