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

C156H96N6O3S3 — CID 159724346

IUPAC2-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/3C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(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/h3*1-32H
InChIKeyNALCYDWPCJHZRR-UHFFFAOYSA-N
MW2198.72 g/mol
LogP44.24
Rot. Bonds18

About 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

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 (PubChem CID 159724346) has the molecular formula C156H96N6O3S3 and a molecular weight of 2198.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159724346
Molecular FormulaC156H96N6O3S3
Molecular Weight2198.72 g/mol
Exact Mass2196.67
IUPAC Name2-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/3C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(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/h3*1-32H
InChIKeyNALCYDWPCJHZRR-UHFFFAOYSA-N
XLogP44.24
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.72
LogP ≤ 544.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079414
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-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078738
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 155078060
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
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 155078730
4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078604
4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 155079275

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NALCYDWPCJHZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N2OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)42-26-25-40(50-43-21-10-12-22-47(43)55-51(42)50)36-24-27-49-44(31-36)41-20-11-13-23-48(41)56-49;1-4-14-33(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/h3*1-32H.
What are the key properties of 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?
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 has a molecular weight of 2198.72 g/mol, XLogP of 44.24, 18 rotatable bonds, 0 hydrogen bond donors, and 12 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;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 is sourced from PubChem (CID 159724346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).