4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine

C57H37N3O — CID 167363862

IUPAC4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H37N3O/c1-6-19-38(20-7-1)48-37-49(47-31-18-30-46-45-29-16-17-32-50(45)61-56(46)47)59-57(58-48)44-35-33-41(34-36-44)51-52(39-21-8-2-9-22-39)54(42-25-12-4-13-26-42)60-55(43-27-14-5-15-28-43)53(51)40-23-10-3-11-24-40/h1-37H
InChIKeyYCRNYOFKIVVJRO-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.11
Rot. Bonds8

About 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine

4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (PubChem CID 167363862) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
PubChem CID167363862
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H37N3O/c1-6-19-38(20-7-1)48-37-49(47-31-18-30-46-45-29-16-17-32-50(45)61-56(46)47)59-57(58-48)44-35-33-41(34-36-44)51-52(39-21-8-2-9-22-39)54(42-25-12-4-13-26-42)60-55(43-27-14-5-15-28-43)53(51)40-23-10-3-11-24-40/h1-37H
InChIKeyYCRNYOFKIVVJRO-UHFFFAOYSA-N
XLogP15.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 158511636
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-[4-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147158397
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (CID 167363862) is 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The InChIKey is YCRNYOFKIVVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-6-19-38(20-7-1)48-37-49(47-31-18-30-46-45-29-16-17-32-50(45)61-56(46)47)59-57(58-48)44-35-33-41(34-36-44)51-52(39-21-8-2-9-22-39)54(42-25-12-4-13-26-42)60-55(43-27-14-5-15-28-43)53(51)40-23-10-3-11-24-40/h1-37H.
What are the key properties of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine has a molecular weight of 779.94 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 167363862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).