4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C64H42N2O — CID 177079215

IUPAC4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7cccc8c7oc7ccccc78)c6-c6ccccc6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-5-16-43(17-6-1)45-30-36-49(37-31-45)59-42-60(66-64(65-59)52-22-11-4-12-23-52)50-38-32-47(33-39-50)46-28-34-48(35-29-46)57-40-53(44-18-7-2-8-19-44)41-58(62(57)51-20-9-3-10-21-51)56-26-15-25-55-54-24-13-14-27-61(54)67-63(55)56/h1-42H
InChIKeyZPXYRMGFBOAYQR-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.38
Rot. Bonds9

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

4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 177079215) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID177079215
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC Name4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7cccc8c7oc7ccccc78)c6-c6ccccc6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-5-16-43(17-6-1)45-30-36-49(37-31-45)59-42-60(66-64(65-59)52-22-11-4-12-23-52)50-38-32-47(33-39-50)46-28-34-48(35-29-46)57-40-53(44-18-7-2-8-19-44)41-58(62(57)51-20-9-3-10-21-51)56-26-15-25-55-54-24-13-14-27-61(54)67-63(55)56/h1-42H
InChIKeyZPXYRMGFBOAYQR-UHFFFAOYSA-N
XLogP17.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078968
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177079021
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
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
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
CID 167348960
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 177079215) is 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7cccc8c7oc7ccccc78)c6-c6ccccc6)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ZPXYRMGFBOAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-5-16-43(17-6-1)45-30-36-49(37-31-45)59-42-60(66-64(65-59)52-22-11-4-12-23-52)50-38-32-47(33-39-50)46-28-34-48(35-29-46)57-40-53(44-18-7-2-8-19-44)41-58(62(57)51-20-9-3-10-21-51)56-26-15-25-55-54-24-13-14-27-61(54)67-63(55)56/h1-42H.
What are the key properties of 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 855.05 g/mol, XLogP of 17.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 177079215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).