Chemical ID: 4505418

c1ccc(cc1)c2cc(nc(n2)c3ccc(cc3)N)c4ccc(cc4)N
Chemical ID:
4505418
Name [?]:
4-[4-(4-aminophenyl)-6-phenyl-pyrimidin-2-yl]aniline
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)c3ccc(cc3)N)c4ccc(cc4)N
InChi [?]:
InChI=1/C22H18N4/c23-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)25-22(26-21)17-8-12-19(24)13-9-17/h1-14H,23-24H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,14,18,22,24,15,17,8,4,20,13,23,16,7,9,11,26,19,12,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCCCNCNCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9672
Area:568.895
Solvation:-2.25521
Coulombic:-47.5426
Bond Count [?]
All:29
Single:17
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.405
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):4.56

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