2,4-bis(3,5-diphenylphenyl)pyrimidine

C40H28N2 — CID 172850530

IUPAC2,4-bis(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C40H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-41-40(42-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyXZUBCYOJVDXVPU-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.48
Rot. Bonds6

About 2,4-bis(3,5-diphenylphenyl)pyrimidine

2,4-bis(3,5-diphenylphenyl)pyrimidine (PubChem CID 172850530) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 2,4-bis(3,5-diphenylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(3,5-diphenylphenyl)pyrimidine
PubChem CID172850530
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name2,4-bis(3,5-diphenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C40H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-41-40(42-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyXZUBCYOJVDXVPU-UHFFFAOYSA-N
XLogP10.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
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]pyrimidine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167686674
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
2,4-diphenylpyrimidine;triphenylene
CID 175536318
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-diphenylphenyl)pyrimidine?
The IUPAC name of 2,4-bis(3,5-diphenylphenyl)pyrimidine (CID 172850530) is 2,4-bis(3,5-diphenylphenyl)pyrimidine.
What is the SMILES notation for 2,4-bis(3,5-diphenylphenyl)pyrimidine?
The canonical SMILES for 2,4-bis(3,5-diphenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccnc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(3,5-diphenylphenyl)pyrimidine?
The InChIKey is XZUBCYOJVDXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-41-40(42-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 2,4-bis(3,5-diphenylphenyl)pyrimidine?
2,4-bis(3,5-diphenylphenyl)pyrimidine has a molecular weight of 536.68 g/mol, XLogP of 10.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-diphenylphenyl)pyrimidine is sourced from PubChem (CID 172850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).