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

C63H41N3O — CID 158511636

IUPAC4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C63H41N3O/c1-6-21-42(22-7-1)54-41-55(48-32-18-31-47(39-48)51-36-20-37-53-52-35-16-17-38-56(52)67-62(51)53)65-63(64-54)50-34-19-33-49(40-50)57-58(43-23-8-2-9-24-43)60(45-27-12-4-13-28-45)66-61(46-29-14-5-15-30-46)59(57)44-25-10-3-11-26-44/h1-41H
InChIKeyHLDACGJYOSQCSY-UHFFFAOYSA-N
MW856.04 g/mol
LogP16.77
Rot. Bonds9

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

4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (PubChem CID 158511636) has the molecular formula C63H41N3O and a molecular weight of 856.04 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
PubChem CID158511636
Molecular FormulaC63H41N3O
Molecular Weight856.04 g/mol
Exact Mass855.32
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C63H41N3O/c1-6-21-42(22-7-1)54-41-55(48-32-18-31-47(39-48)51-36-20-37-53-52-35-16-17-38-56(52)67-62(51)53)65-63(64-54)50-34-19-33-49(40-50)57-58(43-23-8-2-9-24-43)60(45-27-12-4-13-28-45)66-61(46-29-14-5-15-30-46)59(57)44-25-10-3-11-26-44/h1-41H
InChIKeyHLDACGJYOSQCSY-UHFFFAOYSA-N
XLogP16.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363862
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-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
CID 146489037
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (CID 158511636) is 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc(-c4c(-c5ccccc5)c(-c5ccccc5)nc(-c5ccccc5)c4-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
The InChIKey is HLDACGJYOSQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3O/c1-6-21-42(22-7-1)54-41-55(48-32-18-31-47(39-48)51-36-20-37-53-52-35-16-17-38-56(52)67-62(51)53)65-63(64-54)50-34-19-33-49(40-50)57-58(43-23-8-2-9-24-43)60(45-27-12-4-13-28-45)66-61(46-29-14-5-15-30-46)59(57)44-25-10-3-11-26-44/h1-41H.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine?
4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine has a molecular weight of 856.04 g/mol, XLogP of 16.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 158511636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).