4-naphthalen-2-yl-2,6-diphenylpyrimidine

C26H18N2 — CID 71273254

IUPAC4-naphthalen-2-yl-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H18N2/c1-3-10-20(11-4-1)24-18-25(28-26(27-24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H
InChIKeyLXNMHWYJPSYSHL-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.63
Rot. Bonds3

About 4-naphthalen-2-yl-2,6-diphenylpyrimidine

4-naphthalen-2-yl-2,6-diphenylpyrimidine (PubChem CID 71273254) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2,6-diphenylpyrimidine
PubChem CID71273254
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name4-naphthalen-2-yl-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H18N2/c1-3-10-20(11-4-1)24-18-25(28-26(27-24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H
InChIKeyLXNMHWYJPSYSHL-UHFFFAOYSA-N
XLogP6.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2,6-diphenylpyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2,6-diphenylpyrimidine (CID 71273254) is 4-naphthalen-2-yl-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2,6-diphenylpyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2,6-diphenylpyrimidine?
The InChIKey is LXNMHWYJPSYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-10-20(11-4-1)24-18-25(28-26(27-24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H.
What are the key properties of 4-naphthalen-2-yl-2,6-diphenylpyrimidine?
4-naphthalen-2-yl-2,6-diphenylpyrimidine has a molecular weight of 358.44 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2,6-diphenylpyrimidine is sourced from PubChem (CID 71273254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).