N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

CAS: 267221-89-6

Formula: C30H37B2NO4

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

IUPAC: N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

InChI: InChI=1S/C30H37B2NO4/c1-27(2)28(3,4)35-31(34-27)22-14-18-25(19-15-22)33(24-12-10-9-11-13-24)26-20-16-23(17-21-26)32-36-29(5,6)30(7,8)37-32/h9-21H,1-8H3

Composition: C (72.46%), H (7.50%), B (4.35%), N (2.82%), O (12.87%)

Molar Mass: 497.25

Atom Count: 74

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	497.290869
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YHJHDKVUNWSDNM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.53
Topological Polar Surface Area	40.16
Polarizability	58.02
Ring Count	5
Rotatable Bond Count	5

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