2,4-diphenyl-6-(4-phenylphenyl)pyrimidine

C28H20N2 — CID 59188591

IUPAC2,4-diphenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-4-10-21(11-5-1)22-16-18-24(19-17-22)27-20-26(23-12-6-2-7-13-23)29-28(30-27)25-14-8-3-9-15-25/h1-20H
InChIKeyRSRQTVVOGGZRPE-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.14
Rot. Bonds4

About 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine

2,4-diphenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 59188591) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID59188591
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2,4-diphenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-4-10-21(11-5-1)22-16-18-24(19-17-22)27-20-26(23-12-6-2-7-13-23)29-28(30-27)25-14-8-3-9-15-25/h1-20H
InChIKeyRSRQTVVOGGZRPE-UHFFFAOYSA-N
XLogP7.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine (CID 59188591) is 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is RSRQTVVOGGZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-4-10-21(11-5-1)22-16-18-24(19-17-22)27-20-26(23-12-6-2-7-13-23)29-28(30-27)25-14-8-3-9-15-25/h1-20H.
What are the key properties of 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine?
2,4-diphenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 384.48 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 59188591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).