2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine

C46H30N2 — CID 177076820

IUPAC2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c(-c5ccccc5)cccc34)nc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-12-33(13-4-1)40-17-9-19-42-41(40)18-10-20-43(42)45-30-44(34-14-5-2-6-15-34)47-46(48-45)38-26-23-32-22-25-37(28-39(32)29-38)36-24-21-31-11-7-8-16-35(31)27-36/h1-30H
InChIKeyLNZANMJIDLXWSG-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.27
Rot. Bonds5

About 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine

2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 177076820) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
PubChem CID177076820
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c(-c5ccccc5)cccc34)nc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)n2)cc1
InChIInChI=1S/C46H30N2/c1-3-12-33(13-4-1)40-17-9-19-42-41(40)18-10-20-43(42)45-30-44(34-14-5-2-6-15-34)47-46(48-45)38-26-23-32-22-25-37(28-39(32)29-38)36-24-21-31-11-7-8-16-35(31)27-36/h1-30H
InChIKeyLNZANMJIDLXWSG-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

Analyze 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
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
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159368312
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121477683
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
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 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (CID 177076820) is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3cccc4c(-c5ccccc5)cccc34)nc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)n2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is LNZANMJIDLXWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-12-33(13-4-1)40-17-9-19-42-41(40)18-10-20-43(42)45-30-44(34-14-5-2-6-15-34)47-46(48-45)38-26-23-32-22-25-37(28-39(32)29-38)36-24-21-31-11-7-8-16-35(31)27-36/h1-30H.
What are the key properties of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-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 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 177076820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).