4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine

C48H36N2O2 — CID 58604220

IUPAC4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)cc5)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2O2/c1-51-44-28-24-39(25-29-44)35-12-8-33(9-13-35)37-16-20-41(21-17-37)46-32-47(50-48(49-46)43-6-4-3-5-7-43)42-22-18-38(19-23-42)34-10-14-36(15-11-34)40-26-30-45(52-2)31-27-40/h3-32H,1-2H3
InChIKeyCLBIBEVILIKXGK-UHFFFAOYSA-N
MW672.83 g/mol
LogP12.16
Rot. Bonds9

About 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine

4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 58604220) has the molecular formula C48H36N2O2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine
PubChem CID58604220
Molecular FormulaC48H36N2O2
Molecular Weight672.83 g/mol
Exact Mass672.28
IUPAC Name4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)cc5)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2O2/c1-51-44-28-24-39(25-29-44)35-12-8-33(9-13-35)37-16-20-41(21-17-37)46-32-47(50-48(49-46)43-6-4-3-5-7-43)42-22-18-38(19-23-42)34-10-14-36(15-11-34)40-26-30-45(52-2)31-27-40/h3-32H,1-2H3
InChIKeyCLBIBEVILIKXGK-UHFFFAOYSA-N
XLogP12.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine (CID 58604220) is 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine is COc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)cc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.
What is the InChIKey of 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is CLBIBEVILIKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O2/c1-51-44-28-24-39(25-29-44)35-12-8-33(9-13-35)37-16-20-41(21-17-37)46-32-47(50-48(49-46)43-6-4-3-5-7-43)42-22-18-38(19-23-42)34-10-14-36(15-11-34)40-26-30-45(52-2)31-27-40/h3-32H,1-2H3.
What are the key properties of 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine?
4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine has a molecular weight of 672.83 g/mol, XLogP of 12.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-[4-(4-methoxyphenyl)phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 58604220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).