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4-(4-{tris[4-(pyridin-4-yl)phenyl]methyl}phenyl)pyridine

4-(4-{tris[4-(pyridin-4-yl)phenyl]methyl}phenyl)pyridine

Formula: C45H32N4

SMILES: C1=CC(=CC=N1)C1=CC=C(C=C1)C(C1=CC=C(C=C1)C1=CC=NC=C1)(C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=C(C=C1)C1=CC=NC=C1

IUPAC: 4-(4-{tris[4-(pyridin-4-yl)phenyl]methyl}phenyl)pyridine

InChI: InChI=1S/C45H32N4/c1-9-41(10-2-33(1)37-17-25-46-26-18-37)45(42-11-3-34(4-12-42)38-19-27-47-28-20-38,43-13-5-35(6-14-43)39-21-29-48-30-22-39)44-15-7-36(8-16-44)40-23-31-49-32-24-40/h1-32H

Composition: C (85.96%), H (5.13%), N (8.91%)

Molar Mass: 628.779

Atom Count: 81

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 628.262697046
Formal Charge 0
FSP3 0.02
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JTVXUFJCXRDJSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 196.93
Topological Polar Surface Area 51.56
Polarizability 81.63
Ring Count 8
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C45H32N4 $144.93-$1,259.45$144.93$196.35$409.53$1,259.45
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