Chemical ID: 7047146

c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccccc4n5cccc5)c6ccccc6
Chemical ID:
7047146
Name [?]:
2,3-diphenyl-N-(2-pyrrol-1-ylphenyl)-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccccc4n5cccc5)c6ccccc6
InChi [?]:
InChI=1/C31H22N4O/c36-31(34-26-15-7-8-16-28(26)35-19-9-10-20-35)24-17-18-25-27(21-24)33-30(23-13-5-2-6-14-23)29(32-25)22-11-3-1-4-12-22/h1-21H,(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,34,2,6,33,35,22,23,28,29,3,5,32,36,21,24,13,14,27,30,11,4,31,12,15,20,10,25,7,8,17,16,9,19,26,18/E:(3,4)(5,6)(9,10)(11,12)(13,14)(19,20)/rA:36nCCCCCCCCNCCCCCCNCONCCCCCCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;d27;s28;s26d29;s8;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H22N4O
All Atoms:58
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.3428
Area:693.378
Solvation:-2.99161
Coulombic:-42.8384
Bond Count [?]
All:41
Single:24
Double:17
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.533
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):7.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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