4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine

C22H15ClN2 — CID 135379552

IUPAC4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)cc(-c4ccccc4)n3)cc2)c([2H])c1[2H]
InChIInChI=1S/C22H15ClN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H/i1D,3D,4D,7D,8D
InChIKeyRTXODVRNOQIGIM-DYVTXVBDSA-N
MW347.86 g/mol
LogP6.13
Rot. Bonds3

About 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine

4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine (PubChem CID 135379552) has the molecular formula C22H15ClN2 and a molecular weight of 347.86 g/mol. Its IUPAC name is 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
PubChem CID135379552
Molecular FormulaC22H15ClN2
Molecular Weight347.86 g/mol
Exact Mass347.12
IUPAC Name4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)cc(-c4ccccc4)n3)cc2)c([2H])c1[2H]
InChIInChI=1S/C22H15ClN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H/i1D,3D,4D,7D,8D
InChIKeyRTXODVRNOQIGIM-DYVTXVBDSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.86
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine (CID 135379552) is 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine is [2H]c1c([2H])c([2H])c(-c2ccc(-c3nc(Cl)cc(-c4ccccc4)n3)cc2)c([2H])c1[2H].
What is the InChIKey of 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine?
The InChIKey is RTXODVRNOQIGIM-DYVTXVBDSA-N. The full InChI is InChI=1S/C22H15ClN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H/i1D,3D,4D,7D,8D.
What are the key properties of 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine?
4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine has a molecular weight of 347.86 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 135379552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).