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2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

CAS: 1536209-84-3

Formula: C28H27BN2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C1=CC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

InChI: InChI=1S/C28H27BN2O2/c1-27(2)28(3,4)33-29(32-27)23-17-15-21(16-18-23)25-19-24(20-11-7-5-8-12-20)30-26(31-25)22-13-9-6-10-14-22/h5-19H,1-4H3

Composition: C (77.43%), H (6.27%), B (2.49%), N (6.45%), O (7.37%)

Molar Mass: 434.35

Atom Count: 60

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 434.216558
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OILFKPAESXOIIH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 137.32
Topological Polar Surface Area 44.24
Polarizability 54.63
Ring Count 5
Rotatable Bond Count 4

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