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Chemical ID: 4293544

c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4cccc(c4)[N+](=O)[O-])c5ccccc5

Chemical ID:

4293544

Name [?]:

2-(3-nitrophenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4cccc(c4)[N+](=O)[O-])c5ccccc5

InChi [?]:

InChI=1/C27H19N3O2/c31-30(32)24-13-7-12-23(18-24)27-28-25(21-10-5-2-6-11-21)26(29-27)22-16-14-20(15-17-22)19-8-3-1-4-9-19/h1-18H,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,30,2,6,29,31,20,3,5,28,32,19,21,8,12,9,11,23,4,7,27,10,18,22,14,13,16,15,17,24,25,26/E:(3,4)(5,6)(8,9)(10,11)(14,15)(16,17)(31,32)/CRV:30.5/rA:32nCCCCCCCCCCCCCCNCNCCCCCCN+OO-CCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;d24;s24;s14;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₁₉N₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71398
Area:	661.132
Solvation:	-7.81431
Coulombic:	-33.5191

Bond Count [?]

All:	36
Single:	21
Double:	15
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	417.459
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.84
LogP (Chemaxon):	7.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value