2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine

C56H36N2 — CID 177076674

IUPAC2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cccc3c(-c4cc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)n4)cccc23)cc1
InChIInChI=1S/C56H36N2/c1-3-14-37(15-4-1)45-24-12-26-51-49(45)25-13-27-52(51)54-36-55(53-33-32-47(38-16-5-2-6-17-38)48-21-9-10-22-50(48)53)58-56(57-54)43-31-29-40-34-42(30-28-41(40)35-43)46-23-11-19-39-18-7-8-20-44(39)46/h1-36H
InChIKeyZDPVQXZLJJTPFW-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.09
Rot. Bonds6

About 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 177076674) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
PubChem CID177076674
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cccc3c(-c4cc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)n4)cccc23)cc1
InChIInChI=1S/C56H36N2/c1-3-14-37(15-4-1)45-24-12-26-51-49(45)25-13-27-52(51)54-36-55(53-33-32-47(38-16-5-2-6-17-38)48-21-9-10-22-50(48)53)58-56(57-54)43-31-29-40-34-42(30-28-41(40)35-43)46-23-11-19-39-18-7-8-20-44(39)46/h1-36H
InChIKeyZDPVQXZLJJTPFW-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(8-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine
CID 177076732
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-[2-(2-naphthalen-1-ylphenyl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076866
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine (CID 177076674) is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cccc3c(-c4cc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)n4)cccc23)cc1.
What is the InChIKey of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is ZDPVQXZLJJTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-14-37(15-4-1)45-24-12-26-51-49(45)25-13-27-52(51)54-36-55(53-33-32-47(38-16-5-2-6-17-38)48-21-9-10-22-50(48)53)58-56(57-54)43-31-29-40-34-42(30-28-41(40)35-43)46-23-11-19-39-18-7-8-20-44(39)46/h1-36H.
What are the key properties of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine?
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 736.92 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 177076674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).