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Chemical ID: 6830019

CSc1ccc(cc1)c2[nH]c(c([nH+]2)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6

Chemical ID:

6830019

Name [?]:

2-(4-methylsulfanylphenyl)-4,5-bis(4-phenylphenyl)-1,3-dihydroimidazole

SMILES [?]:

CSc1ccc(cc1)c2[nH]c(c([nH+]2)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6

InChi [?]:

InChI=1/C34H26N2S/c1-37-31-22-20-30(21-23-31)34-35-32(28-16-12-26(13-17-28)24-8-4-2-5-9-24)33(36-34)29-18-14-27(15-19-29)25-10-6-3-7-11-25/h2-23H,1H3,(H,35,36)/p+1

InChi Info:

AuxInfo=1/1/N:1,23,35,22,24,34,36,21,25,33,37,16,18,28,30,15,19,27,31,5,7,4,8,20,32,17,29,14,26,6,3,12,11,9,13,10,2/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13,14,15)(16,17,18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(32,33)(35,36)/rA:37nCSCCCCCCCNCCN+CCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;d9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;s11;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₂₇N₂S+
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	-12.4416
Area:	770.122
Solvation:	-31.6946
Coulombic:	-15.3444

Bond Count [?]

All:	42
Single:	25
Double:	17
Rotors:	6
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	495.658
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	10.91
LogP (Chemaxon):	9.6

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