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Chemical ID: 4296039

c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4ccc(cc4)Br)c5ccccc5

Chemical ID:

4296039

Name [?]:

2-(4-bromophenyl)-4-phenyl-5-(4-phenylphenyl)-1H-imidazole

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4ccc(cc4)Br)c5ccccc5

InChi [?]:

InChI=1/C27H19BrN2/c28-24-17-15-23(16-18-24)27-29-25(21-9-5-2-6-10-21)26(30-27)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18H,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,28,2,6,27,29,3,5,26,30,8,12,9,11,19,23,20,22,4,7,25,10,18,21,14,13,16,24,15,17/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCCCCCCCCCCCCCCNCNCCCCCCBrCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;s14;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₁₉BrN₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	14.073
Area:	637.418
Solvation:	-1.86249
Coulombic:	-23.7797

Bond Count [?]

All:	34
Single:	20
Double:	14
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	451.357
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	8.87
LogP (Chemaxon):	8.05

Name Annotations

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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