4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine

C215H171N17S2 — CID 158746588

IUPAC4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine
SMILESCCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/2C61H48N4.C48H39N5.C45H36N4S2/c1-3-61(4-2,53-35-31-47(32-36-53)59-62-55(45-23-13-7-14-24-45)41-57(64-59)51-29-17-27-49(39-51)43-19-9-5-10-20-43)54-37-33-48(34-38-54)60-63-56(46-25-15-8-16-26-46)42-58(65-60)52-30-18-28-50(40-52)44-21-11-6-12-22-44;1-3-61(4-2,53-37-33-51(34-38-53)59-62-55(47-21-13-7-14-22-47)41-57(64-59)49-29-25-45(26-30-49)43-17-9-5-10-18-43)54-39-35-52(36-40-54)60-63-56(48-23-15-8-16-24-48)42-58(65-60)50-31-27-46(28-32-50)44-19-11-6-12-20-44;1-3-48(4-2,39-27-23-37(24-28-39)46-50-42(34-16-8-5-9-17-34)32-43(51-46)35-18-10-6-11-19-35)40-29-25-38(26-30-40)47-52-44(36-20-12-7-13-21-36)33-45(53-47)41-22-14-15-31-49-41;1-3-45(4-2,35-23-19-33(20-24-35)43-46-37(31-13-7-5-8-14-31)29-39(48-43)41-17-11-27-50-41)36-25-21-34(22-26-36)44-47-38(32-15-9-6-10-16-32)30-40(49-44)42-18-12-28-51-42/h2*5-42H,3-4H2,1-2H3;5-33H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3
InChIKeyIMYQLUOIQHQFPS-UHFFFAOYSA-N
MW3056.99 g/mol
LogP55.68
Rot. Bonds44

About 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine

4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine (PubChem CID 158746588) has the molecular formula C215H171N17S2 and a molecular weight of 3056.99 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine
PubChem CID158746588
Molecular FormulaC215H171N17S2
Molecular Weight3056.99 g/mol
Exact Mass3054.33
IUPAC Name4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine
SMILESCCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1
InChIInChI=1S/2C61H48N4.C48H39N5.C45H36N4S2/c1-3-61(4-2,53-35-31-47(32-36-53)59-62-55(45-23-13-7-14-24-45)41-57(64-59)51-29-17-27-49(39-51)43-19-9-5-10-20-43)54-37-33-48(34-38-54)60-63-56(46-25-15-8-16-26-46)42-58(65-60)52-30-18-28-50(40-52)44-21-11-6-12-22-44;1-3-61(4-2,53-37-33-51(34-38-53)59-62-55(47-21-13-7-14-22-47)41-57(64-59)49-29-25-45(26-30-49)43-17-9-5-10-18-43)54-39-35-52(36-40-54)60-63-56(48-23-15-8-16-24-48)42-58(65-60)50-31-27-46(28-32-50)44-19-11-6-12-20-44;1-3-48(4-2,39-27-23-37(24-28-39)46-50-42(34-16-8-5-9-17-34)32-43(51-46)35-18-10-6-11-19-35)40-29-25-38(26-30-40)47-52-44(36-20-12-7-13-21-36)33-45(53-47)41-22-14-15-31-49-41;1-3-45(4-2,35-23-19-33(20-24-35)43-46-37(31-13-7-5-8-14-31)29-39(48-43)41-17-11-27-50-41)36-25-21-34(22-26-36)44-47-38(32-15-9-6-10-16-32)30-40(49-44)42-18-12-28-51-42/h2*5-42H,3-4H2,1-2H3;5-33H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3
InChIKeyIMYQLUOIQHQFPS-UHFFFAOYSA-N
XLogP55.68
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003056.99
LogP ≤ 555.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine (CID 158746588) is 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine is CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccn3)n2)cc1.CCC(CC)(c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccs3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine?
The InChIKey is IMYQLUOIQHQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H48N4.C48H39N5.C45H36N4S2/c1-3-61(4-2,53-35-31-47(32-36-53)59-62-55(45-23-13-7-14-24-45)41-57(64-59)51-29-17-27-49(39-51)43-19-9-5-10-20-43)54-37-33-48(34-38-54)60-63-56(46-25-15-8-16-26-46)42-58(65-60)52-30-18-28-50(40-52)44-21-11-6-12-22-44;1-3-61(4-2,53-37-33-51(34-38-53)59-62-55(47-21-13-7-14-22-47)41-57(64-59)49-29-25-45(26-30-49)43-17-9-5-10-18-43)54-39-35-52(36-40-54)60-63-56(48-23-15-8-16-24-48)42-58(65-60)50-31-27-46(28-32-50)44-19-11-6-12-20-44;1-3-48(4-2,39-27-23-37(24-28-39)46-50-42(34-16-8-5-9-17-34)32-43(51-46)35-18-10-6-11-19-35)40-29-25-38(26-30-40)47-52-44(36-20-12-7-13-21-36)33-45(53-47)41-22-14-15-31-49-41;1-3-45(4-2,35-23-19-33(20-24-35)43-46-37(31-13-7-5-8-14-31)29-39(48-43)41-17-11-27-50-41)36-25-21-34(22-26-36)44-47-38(32-15-9-6-10-16-32)30-40(49-44)42-18-12-28-51-42/h2*5-42H,3-4H2,1-2H3;5-33H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3.
What are the key properties of 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine?
4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine has a molecular weight of 3056.99 g/mol, XLogP of 55.68, 44 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-[3-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]pentan-3-yl]phenyl]pyrimidine;4-phenyl-2-[4-[3-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]pentan-3-yl]phenyl]-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 158746588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).