4-{5-[4-(dihydroxyboranyl)phenyl]-3,3-bis({2-[4-(dihydroxyboranyl)phenyl]ethynyl})penta-1,4-diyn-1-yl}phenylboronic acid

4-{5-[4-(dihydroxyboranyl)phenyl]-3,3-bis({2-[4-(dihydroxyboranyl)phenyl]ethynyl})penta-1,4-diyn-1-yl}phenylboronic acid

Formula: C33H24B4O8

SMILES: OB(O)C1=CC=C(C=C1)C#CC(C#CC1=CC=C(C=C1)B(O)O)(C#CC1=CC=C(C=C1)B(O)O)C#CC1=CC=C(C=C1)B(O)O

IUPAC: (4-{5-[4-(dihydroxyboranyl)phenyl]-3,3-bis({2-[4-(dihydroxyboranyl)phenyl]ethynyl})penta-1,4-diyn-1-yl}phenyl)boronic acid

InChI: InChI=1S/C33H24B4O8/c38-34(39)29-9-1-25(2-10-29)17-21-33(22-18-26-3-11-30(12-4-26)35(40)41,23-19-27-5-13-31(14-6-27)36(42)43)24-20-28-7-15-32(16-8-28)37(44)45/h1-16,38-45H

Composition: C (66.98%), H (4.09%), B (7.31%), O (21.63%)

Molar Mass: 591.79

Atom Count: 69

Heavy Atom Count: 45

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	592.184338
Formal Charge	0
FSP3	0.03
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	8
InChIKey	AMUBYXMREJJOBI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.72
Topological Polar Surface Area	161.84
Polarizability	64.08
Ring Count	4
Rotatable Bond Count	12

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C33H24B4O8		Quote Only