5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine

C20H14N4 — CID 102365642

IUPAC5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cnc(-c4cncnc4)nc3)cc2)cc1
InChIInChI=1S/C20H14N4/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-23-20(24-13-18)19-10-21-14-22-11-19/h1-14H
InChIKeyHLJZWAQNXGVSKI-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.27
Rot. Bonds3

About 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine

5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine (PubChem CID 102365642) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
PubChem CID102365642
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cnc(-c4cncnc4)nc3)cc2)cc1
InChIInChI=1S/C20H14N4/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-23-20(24-13-18)19-10-21-14-22-11-19/h1-14H
InChIKeyHLJZWAQNXGVSKI-UHFFFAOYSA-N
XLogP4.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
5-[4-(2-methylphenyl)phenyl]pyrimidine
CID 146397515
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
5-[2-(4-phenylphenyl)ethynyl]pyrimidine
CID 44560632
5-(4-phenoxyphenyl)pyrimidine;propane
CID 153341834
2,4-diphenyl-6-[7-(4-pyrimidin-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[7-(4-pyrimidin-4-ylphenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[7-(4-pyrimidin-5-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 158438028
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline
CID 171732037

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine?
The IUPAC name of 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine (CID 102365642) is 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine.
What is the SMILES notation for 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine?
The canonical SMILES for 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine is c1ccc(-c2ccc(-c3cnc(-c4cncnc4)nc3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine?
The InChIKey is HLJZWAQNXGVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-23-20(24-13-18)19-10-21-14-22-11-19/h1-14H.
What are the key properties of 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine?
5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine has a molecular weight of 310.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine is sourced from PubChem (CID 102365642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).