Chemical ID: 5201017

Cn1c(ccc1C2=NC(C=C2)c3ccccc3)c4ccccc4
Chemical ID:
5201017
Name [?]:
1-methyl-2-phenyl-5-(5-phenyl-5H-pyrrol-2-yl)-pyrrole
SMILES [?]:
Cn1c(ccc1C2=NC(C=C2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C21H18N2/c1-23-20(17-10-6-3-7-11-17)14-15-21(23)19-13-12-18(22-19)16-8-4-2-5-9-16/h2-15,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,21,14,16,20,22,13,17,19,23,10,11,4,5,12,18,9,7,3,6,8,2/E:(4,5)(6,7)(8,9)(10,11)/rA:23cCNCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s7d10;s9;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.4426
Area:506.291
Solvation:-2.21465
Coulombic:-16.3059
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.381
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.94
LogP (Chemaxon):4.79

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Descriptor Annotations

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