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4,4,5,5-tetramethyl-2-(4-{1,2,2-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}phenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-{1,2,2-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}phenyl)-1,3,2-dioxaborolane

CAS: 1660996-72-4

Formula: C50H64B4O8

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(=C(C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4,4,5,5-tetramethyl-2-(4-{1,2,2-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}phenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C50H64B4O8/c1-43(2)44(3,4)56-51(55-43)37-25-17-33(18-26-37)41(34-19-27-38(28-20-34)52-57-45(5,6)46(7,8)58-52)42(35-21-29-39(30-22-35)53-59-47(9,10)48(11,12)60-53)36-23-31-40(32-24-36)54-61-49(13,14)50(15,16)62-54/h17-32H,1-16H3

Composition: C (71.81%), H (7.71%), B (5.17%), O (15.30%)

Molar Mass: 836.29

Atom Count: 126

Heavy Atom Count: 62

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 836.497339
Formal Charge 0
FSP3 0.48
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey IMKQIUDDYPXPIU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 247.24
Topological Polar Surface Area 73.84
Polarizability 97.27
Ring Count 8
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1660996-72-4 $45.40-$482.96$45.40$69.36$162.67$482.96
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