B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
CAS: 952431-30-0
Name: N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

Molecular Processing

Molecular formula
C36H34BNO2
Molecular weight
523.49
Exact mass
523.2683
XLogP
8.79
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
167.71

Supplementary Information

InChIKey: PESBFNLGEMHNAM-UHFFFAOYSA-N
Synonyme
952431-30-0Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amineN,N-Di(4-biphenylyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineN-([1,1'-biphenyl]-4-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-[1,1'-biphenyl]-4-amineMFCD29089353N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline2-[4-[Di(4-biphenylyl)amino]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-[Di(4-biphenylyl)amino]phenylboronic Acid Pinacol EsterPESBFNLGEMHNAM-UHFFFAOYSA-NC36H34BNO2SCHEMBL2761473XH1440BS-51360SY056007DB-130327CS-0176977D4886F696849bis(biphenyl-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]aminebisbiphenyl-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]aminebisbiphenyl-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amineN-(biphenyl-4-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)biphenyl-4-amine
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