Chemical ID: 6637812

c1ccc(cc1)CNC(c2ccccc2)(c3ccccc3)c4ccccc4
Chemical ID:
6637812
Name [?]:
1-phenyl-N-trityl-methanamine
SMILES [?]:
c1ccc(cc1)CNC(c2ccccc2)(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C26H23N/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,27H,21H2
InChi Info:
AuxInfo=1/0/N:1,13,19,25,2,6,12,14,18,20,24,26,3,5,11,15,17,21,23,27,7,4,10,16,22,9,8/E:(2,3,4)(5,6)(7,8,9,10,11,12)(13,14)(15,16,17,18,19,20)(23,24,25)/rA:27nCCCCCCCNCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23N
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.346
Area:557.241
Solvation:-1.58498
Coulombic:-17.5286
Bond Count [?]
All:30
Single:18
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.468
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.79
LogP (Chemaxon):6.99

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