2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine

C52H32N2OS — CID 155079414

IUPAC2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)46-32-45(35-18-8-3-9-19-35)53-52(54-46)43-26-25-40(50-42-21-10-12-22-47(42)55-51(43)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49/h1-32H
InChIKeyCVZXNXZEZXRJEQ-UHFFFAOYSA-N
MW732.91 g/mol
LogP14.75
Rot. Bonds6

About 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine

2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine (PubChem CID 155079414) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
PubChem CID155079414
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC Name2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)46-32-45(35-18-8-3-9-19-35)53-52(54-46)43-26-25-40(50-42-21-10-12-22-47(42)55-51(43)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49/h1-32H
InChIKeyCVZXNXZEZXRJEQ-UHFFFAOYSA-N
XLogP14.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 159724346
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078738
4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 158120432
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 157201681
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 155078060
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 155078730
4-[4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078092
2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166975065
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078604

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine (CID 155079414) is 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The InChIKey is CVZXNXZEZXRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)46-32-45(35-18-8-3-9-19-35)53-52(54-46)43-26-25-40(50-42-21-10-12-22-47(42)55-51(43)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49/h1-32H.
What are the key properties of 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine has a molecular weight of 732.91 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 155079414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).