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Chemical ID: 6198472

Chemical ID:

6198472

Name [?]:

2,4-diphenyl-1,5,7,8,9-pentazabicyclo[4.3.0]nona-6,8-diene

SMILES [?]:

c1ccc(cc1)C2CC(n3c(nnn3)N2)c4ccccc4

InChi [?]:

InChI=1/C16H15N5/c1-3-7-12(8-4-1)14-11-15(13-9-5-2-6-10-13)21-16(17-14)18-19-20-21/h1-10,14-15H,11H2,(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,19,2,6,18,20,3,5,17,21,8,4,16,7,9,11,15,12,13,14,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21cCCCCCCCCCNCNNNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s10d13;s7s11;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅N₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	9.91388
Area:	461.974
Solvation:	-1.63546
Coulombic:	-22.0388

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	277.324
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	2.93
LogP (Chemaxon):	3.3

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value