Chemical ID: 6673154

c1ccc(cc1)c2ccc(cc2)c3c4ccccc4ccn3
Chemical ID:
6673154
Name [?]:
1-(4-phenylphenyl)isoquinoline
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3c4ccccc4ccn3
InChi [?]:
InChI=1/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-20-9-5-4-8-18(20)14-15-22-21/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,16,3,5,18,15,8,12,9,11,20,21,4,7,19,10,14,13,22/E:(2,3)(6,7)(10,11)(12,13)/rA:22nCCCCCCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1863
Area:478.194
Solvation:-1.76853
Coulombic:-9.87684
Bond Count [?]
All:25
Single:14
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.351
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.0
LogP (Chemaxon):5.5

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Descriptor Annotations

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