2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine

C110H74N10 — CID 165022370

IUPAC2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)n2)cc1
InChIInChI=1S/C56H38N4.C54H36N6/c1-3-11-41(12-4-1)54-38-55(42-13-5-2-6-14-42)60-56(59-54)53-36-51(49-21-9-19-47(33-49)45-17-7-15-43(31-45)39-23-27-57-28-24-39)35-52(37-53)50-22-10-20-48(34-50)46-18-8-16-44(32-46)40-25-29-58-30-26-40;1-3-11-37(12-4-1)52-30-53(38-13-5-2-6-14-38)60-54(59-52)49-28-47(43-19-7-15-39(23-43)41-17-9-21-45(25-41)50-31-55-35-56-32-50)27-48(29-49)44-20-8-16-40(24-44)42-18-10-22-46(26-42)51-33-57-36-58-34-51/h1-38H;1-36H
InChIKeyLIZJDEQTUBXXHK-UHFFFAOYSA-N
MW1535.87 g/mol
LogP27.33
Rot. Bonds18

About 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine

2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 165022370) has the molecular formula C110H74N10 and a molecular weight of 1535.87 g/mol. Its IUPAC name is 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
PubChem CID165022370
Molecular FormulaC110H74N10
Molecular Weight1535.87 g/mol
Exact Mass1534.61
IUPAC Name2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)n2)cc1
InChIInChI=1S/C56H38N4.C54H36N6/c1-3-11-41(12-4-1)54-38-55(42-13-5-2-6-14-42)60-56(59-54)53-36-51(49-21-9-19-47(33-49)45-17-7-15-43(31-45)39-23-27-57-28-24-39)35-52(37-53)50-22-10-20-48(34-50)46-18-8-16-44(32-46)40-25-29-58-30-26-40;1-3-11-37(12-4-1)52-30-53(38-13-5-2-6-14-38)60-54(59-52)49-28-47(43-19-7-15-39(23-43)41-17-9-21-45(25-41)50-31-55-35-56-32-50)27-48(29-49)44-20-8-16-40(24-44)42-18-10-22-46(26-42)51-33-57-36-58-34-51/h1-38H;1-36H
InChIKeyLIZJDEQTUBXXHK-UHFFFAOYSA-N
XLogP27.33
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001535.87
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;4-[3-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 160785315
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314097
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine (CID 165022370) is 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cccc(-c6ccncc6)c5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)cc(-c4cccc(-c5cccc(-c6cncnc6)c5)c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is LIZJDEQTUBXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4.C54H36N6/c1-3-11-41(12-4-1)54-38-55(42-13-5-2-6-14-42)60-56(59-54)53-36-51(49-21-9-19-47(33-49)45-17-7-15-43(31-45)39-23-27-57-28-24-39)35-52(37-53)50-22-10-20-48(34-50)46-18-8-16-44(32-46)40-25-29-58-30-26-40;1-3-11-37(12-4-1)52-30-53(38-13-5-2-6-14-38)60-54(59-52)49-28-47(43-19-7-15-39(23-43)41-17-9-21-45(25-41)50-31-55-35-56-32-50)27-48(29-49)44-20-8-16-40(24-44)42-18-10-22-46(26-42)51-33-57-36-58-34-51/h1-38H;1-36H.
What are the key properties of 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 1535.87 g/mol, XLogP of 27.33, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 165022370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).