4,6-Diphenylpyrimidine

CAT: 0127-OR1070223-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070223-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3977-48-8

MDL Number

MFCD00234899

Purity

97%

Smiles

C1(C2=CC=CC=C2)=NC=NC(C3=CC=CC=C3)=C1

Chemical Information

4,6-Diphenylpyrimidine

CAS Number	3977-48-8
PubChem CID	817540
IUPAC Name	4,6-diphenylpyrimidine
Molecular Formula	C16H12N2
Molecular Weight	232.28
XLogP	3.5
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	217

SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14/h1-12H

InChIKey

BWRMZQGIDWILAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3977-48-8

CID: 817540

Formula: C16H12N2

MW: 232.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.28
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.100048391
Monoisotopic Mass	232.100048391
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1065775-01	4-Methyl-2,6-diphenylpyrimidine
OR89666-01	4-Chloro-2,6-diphenylpyrimidine
OR96047-01	4-Bromo-2,6-diphenylpyrimidine
OR1068827-01	4- (4-Chlorophenyl) -2,6-diphenylpyrimidine
OR73280-01	4- (4-Bromophenyl) -2,6-diphenylpyrimidine
OR95262-01	4- (3-Bromophenyl) -2,6-diphenylpyrimidine
OR1100107-01	2,4-Diphenylpyrimidine
OR95322-01	4- (3-CHLOROPHENYL) -2,6-DIPHENYLPYRIMIDINE
OR1011351-01	4,6-Dichloro-2,5-Diphenylpyrimidine
OR96351-01	4- (3,5-Dibromophenyl) -2,6-diphenylpyrimidine

Catalog	Name
EBA50991	4-Chloro-2,6-diphenylpyrimidine
2915-16-4-01	2-chloro-4,6-diphenylpyrimidine
sc-233083	4,6-Dichloro-2,5-diphenylpyrimidine
JH919597	4- (3-Chlorophenyl) -2,6-Diphenylpyrimidine
PJB37722	2- (3-Bromophenyl) -4,6-diphenylpyrimidine
JH919237	2- (4-bromo-3-chlorophenyl) -4,6-diphenylpyrimidine
JH919234	2- (2-bromo-4-chlorophenyl) -4,6-diphenylpyrimidine
1799296-01-7-01	4- (4'-chloro-[1,1'-biphenyl]-4-yl) -2,6-diphenylpyrimidine
TRC-B432865-500MG	1,3-Diphenylpyrimidine-2,4,6(1H,3H,5H)-trione
AQ NN 0290-01	2,5-diphenylpyrimidine