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Chemical ID: 4754832

Chemical ID:

4754832

Name [?]:

4-methyl-8-(4-phenylphenyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene

SMILES [?]:

Cc1ccc2nc(cn2c1)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C20H16N2/c1-15-7-12-20-21-19(14-22(20)13-15)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-14H,1H3

InChi Info:

AuxInfo=1/0/N:1,20,19,21,18,22,3,13,15,12,16,4,10,8,2,17,14,11,7,5,6,9/E:(3,4)(5,6)(8,9)(10,11)/rA:22nCCCCCNCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2598
Area:	489.672
Solvation:	-1.98199
Coulombic:	-14.3852

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	284.355
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	5.03
LogP (Chemaxon):	5.58

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