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Chemical ID: 6427044

COc1ccc(cc1NC(c2ccccc2)(c3ccccc3)c4ccccc4)[N+](=O)[O-]

Chemical ID:

6427044

Name [?]:

2-methoxy-5-nitro-N-trityl-aniline

SMILES [?]:

COc1ccc(cc1NC(c2ccccc2)(c3ccccc3)c4ccccc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C26H22N2O3/c1-31-25-18-17-23(28(29)30)19-24(25)27-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19,27H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,20,26,13,15,19,21,25,27,12,16,18,22,24,28,5,4,7,11,17,23,6,8,3,10,9,29,30,31,2/E:(2,3,4)(5,6,7,8,9,10)(11,12,13,14,15,16)(20,21,22)(29,30)/CRV:28.5/rA:31nCOCCCCCCNCCCCCCCCCCCCCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s10;s23;d24;s25;d26;d23s27;s6;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	6.51856
Area:	585.478
Solvation:	-8.1184
Coulombic:	-36.7666

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.465
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.6
LogP (Chemaxon):	6.74

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value