2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine

C42H28N4 — CID 129292712

IUPAC2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccncn5)c4)cc(-c4cccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C42H28N4/c1-3-12-30(13-4-1)40-27-41(31-14-5-2-6-15-31)46-42(45-40)36-25-34(32-17-9-18-33(23-32)39-21-22-43-28-44-39)24-35(26-36)38-20-10-16-29-11-7-8-19-37(29)38/h1-28H
InChIKeyNWFLXEMWLHHGNO-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

About 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine

2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 129292712) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
PubChem CID129292712
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccncn5)c4)cc(-c4cccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C42H28N4/c1-3-12-30(13-4-1)40-27-41(31-14-5-2-6-15-31)46-42(45-40)36-25-34(32-17-9-18-33(23-32)39-21-22-43-28-44-39)24-35(26-36)38-20-10-16-29-11-7-8-19-37(29)38/h1-28H
InChIKeyNWFLXEMWLHHGNO-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
CID 130263182
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;4-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;4-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 159747477
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292630
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
8-[3-(4,6-diphenylpyrimidin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
CID 142297990
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959
2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine
CID 161463757

Frequently Asked Questions

What is the IUPAC name of 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine (CID 129292712) is 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccncn5)c4)cc(-c4cccc5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is NWFLXEMWLHHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-12-30(13-4-1)40-27-41(31-14-5-2-6-15-31)46-42(45-40)36-25-34(32-17-9-18-33(23-32)39-21-22-43-28-44-39)24-35(26-36)38-20-10-16-29-11-7-8-19-37(29)38/h1-28H.
What are the key properties of 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 129292712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).