2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine

C36H26N4 — CID 137433549

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)n1
InChIInChI=1S/C36H26N4/c1-23-19-24(2)38-35(37-23)27-13-15-28(16-14-27)36-39-33(31-17-11-25-7-3-5-9-29(25)20-31)22-34(40-36)32-18-12-26-8-4-6-10-30(26)21-32/h3-22H,1-2H3
InChIKeyYZVRZMBEFBSQJZ-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.86
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine (PubChem CID 137433549) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
PubChem CID137433549
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)n1
InChIInChI=1S/C36H26N4/c1-23-19-24(2)38-35(37-23)27-13-15-28(16-14-27)36-39-33(31-17-11-25-7-3-5-9-29(25)20-31)22-34(40-36)32-18-12-26-8-4-6-10-30(26)21-32/h3-22H,1-2H3
InChIKeyYZVRZMBEFBSQJZ-UHFFFAOYSA-N
XLogP8.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
4,6-dimethyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine;2-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 158579078
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
4-methyl-2-naphthalen-2-yl-6-phenylpyrimidine;4-(3-methylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine;4-(4-methylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine;2-(2-methylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157257607
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
4-anthracen-9-yl-2-[4-[4-(4-anthracen-9-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylpyrimidine
CID 88557833
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
N-methyl-1-(4-methyl-6-naphthalen-2-ylpyrimidin-2-yl)methanamine
CID 116892458
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine (CID 137433549) is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine is Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is YZVRZMBEFBSQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-23-19-24(2)38-35(37-23)27-13-15-28(16-14-27)36-39-33(31-17-11-25-7-3-5-9-29(25)20-31)22-34(40-36)32-18-12-26-8-4-6-10-30(26)21-32/h3-22H,1-2H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 514.63 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 137433549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).