Chemical ID: 6466621

Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
Chemical ID:
6466621
Name [?]:
8,10-dimethyl-3,5-diphenyl-9-azabicyclo[5.3.0]deca-2,5,7,10-tetraen-4-one
SMILES [?]:
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H19NO/c1-15-19-13-21(17-9-5-3-6-10-17)23(25)22(14-20(19)16(2)24-15)18-11-7-4-8-12-18/h3-14,24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,23,17,22,24,16,18,21,25,15,19,4,9,2,11,20,14,3,10,5,8,6,12,7/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:25nCCCCCCOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s6;d8;s3s9;d10;s2s11;s11;s8;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19NO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9851
Area:531.076
Solvation:-2.2918
Coulombic:-22.656
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.403
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.92
LogP (Chemaxon):5.0

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue