2,4,5,6-tetraphenylpyrimidine

C28H20N2 — CID 12744669

IUPAC2,4,5,6-tetraphenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H20N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H
InChIKeyLQOXNYBVBRTLFL-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.14
Rot. Bonds4

About 2,4,5,6-tetraphenylpyrimidine

2,4,5,6-tetraphenylpyrimidine (PubChem CID 12744669) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,4,5,6-tetraphenylpyrimidine.

Molecular Properties

Compound Name2,4,5,6-tetraphenylpyrimidine
PubChem CID12744669
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2,4,5,6-tetraphenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H20N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H
InChIKeyLQOXNYBVBRTLFL-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 2,4,5,6-tetraphenylpyrimidine?
The IUPAC name of 2,4,5,6-tetraphenylpyrimidine (CID 12744669) is 2,4,5,6-tetraphenylpyrimidine.
What is the SMILES notation for 2,4,5,6-tetraphenylpyrimidine?
The canonical SMILES for 2,4,5,6-tetraphenylpyrimidine is c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4,5,6-tetraphenylpyrimidine?
The InChIKey is LQOXNYBVBRTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 2,4,5,6-tetraphenylpyrimidine?
2,4,5,6-tetraphenylpyrimidine 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 2,4,5,6-tetraphenylpyrimidine is sourced from PubChem (CID 12744669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).