2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine

C56H38N4 — CID 134166118

IUPAC2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H38N4/c1-4-14-39(15-5-1)46-32-48(41-22-26-43(27-23-41)52-20-10-12-30-57-52)36-50(34-46)54-38-55(60-56(59-54)45-18-8-3-9-19-45)51-35-47(40-16-6-2-7-17-40)33-49(37-51)42-24-28-44(29-25-42)53-21-11-13-31-58-53/h1-38H
InChIKeyMOYXAUANSQJJMQ-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.27
Rot. Bonds9

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

2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine (PubChem CID 134166118) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
PubChem CID134166118
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H38N4/c1-4-14-39(15-5-1)46-32-48(41-22-26-43(27-23-41)52-20-10-12-30-57-52)36-50(34-46)54-38-55(60-56(59-54)45-18-8-3-9-19-45)51-35-47(40-16-6-2-7-17-40)33-49(37-51)42-24-28-44(29-25-42)53-21-11-13-31-58-53/h1-38H
InChIKeyMOYXAUANSQJJMQ-UHFFFAOYSA-N
XLogP14.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine (CID 134166118) is 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The InChIKey is MOYXAUANSQJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-4-14-39(15-5-1)46-32-48(41-22-26-43(27-23-41)52-20-10-12-30-57-52)36-50(34-46)54-38-55(60-56(59-54)45-18-8-3-9-19-45)51-35-47(40-16-6-2-7-17-40)33-49(37-51)42-24-28-44(29-25-42)53-21-11-13-31-58-53/h1-38H.
What are the key properties of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 766.95 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 134166118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).