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Chemical ID: 6833711

Chemical ID:

6833711

Name [?]:

8,9-diphenyl-1-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraene

SMILES [?]:

c1ccc(cc1)c2c(n3ccccc3[nH+]2)c4ccccc4

InChi [?]:

InChI=1/C19H14N2/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)21-14-8-7-13-17(21)20-18/h1-14H/p+1

InChi Info:

AuxInfo=1/1/N:1,19,2,6,18,20,12,11,3,5,17,21,13,10,4,16,14,7,8,15,9/E:(3,4)(5,6)(9,10)(11,12)/rA:21nCCCCCCCCNCCCCCN+CCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s8;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅N₂₊
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	-18.6892
Area:	451.22
Solvation:	-29.9697
Coulombic:	-7.39993

Bond Count [?]

All:	24
Single:	14
Double:	10
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	271.336
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	5.05
LogP (Chemaxon):	4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value