2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C50H32N2O2 — CID 70332183

IUPAC2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C50H32N2O2/c1-4-12-33(13-5-1)38-18-10-20-40(28-38)42-26-27-47-45(30-42)46-32-43(41-21-11-19-39(29-41)34-14-6-2-7-15-34)31-44(48(46)53-47)35-22-24-37(25-23-35)50-52-51-49(54-50)36-16-8-3-9-17-36/h1-32H
InChIKeyGSOCNMXEASOEDZ-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.64
Rot. Bonds7

About 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 70332183) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID70332183
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C50H32N2O2/c1-4-12-33(13-5-1)38-18-10-20-40(28-38)42-26-27-47-45(30-42)46-32-43(41-21-11-19-39(29-41)34-14-6-2-7-15-34)31-44(48(46)53-47)35-22-24-37(25-23-35)50-52-51-49(54-50)36-16-8-3-9-17-36/h1-32H
InChIKeyGSOCNMXEASOEDZ-UHFFFAOYSA-N
XLogP13.64
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)-1,3,4-oxadiazole
CID 70332203
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
CID 164934450
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
2-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332069
2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369665
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2-(6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167703669
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 70332183) is 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GSOCNMXEASOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c1-4-12-33(13-5-1)38-18-10-20-40(28-38)42-26-27-47-45(30-42)46-32-43(41-21-11-19-39(29-41)34-14-6-2-7-15-34)31-44(48(46)53-47)35-22-24-37(25-23-35)50-52-51-49(54-50)36-16-8-3-9-17-36/h1-32H.
What are the key properties of 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 692.82 g/mol, XLogP of 13.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 70332183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).