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

C46H30N2 — CID 170188925

IUPAC4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-32(15-4-1)36-21-11-23-41-39(36)22-12-24-42(41)44-30-45(48-46(47-44)33-16-5-2-6-17-33)43-28-27-37(38-19-9-10-20-40(38)43)35-26-25-31-13-7-8-18-34(31)29-35/h1-30H
InChIKeyPAPXUMIKXXZRKA-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.27
Rot. Bonds5

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

4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 170188925) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
PubChem CID170188925
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-32(15-4-1)36-21-11-23-41-39(36)22-12-24-42(41)44-30-45(48-46(47-44)33-16-5-2-6-17-33)43-28-27-37(38-19-9-10-20-40(38)43)35-26-25-31-13-7-8-18-34(31)29-35/h1-30H
InChIKeyPAPXUMIKXXZRKA-UHFFFAOYSA-N
XLogP12.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
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-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(8-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine
CID 177076732
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (CID 170188925) is 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is PAPXUMIKXXZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-14-32(15-4-1)36-21-11-23-41-39(36)22-12-24-42(41)44-30-45(48-46(47-44)33-16-5-2-6-17-33)43-28-27-37(38-19-9-10-20-40(38)43)35-26-25-31-13-7-8-18-34(31)29-35/h1-30H.
What are the key properties of 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 610.76 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 170188925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).