Chem 2 22 Bis 1h Indol 3 Yl Ethyl Phenylamine Dsrpl

Compound 405
  CheckMol                        TMF02:r0:m0
MF=C24H21N3 MW=351.45
 27 31  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7669    1.3096   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0147   -1.0973   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2417    1.0147   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3186    2.7491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3951   -0.4719   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2564    2.1355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3332    3.8699   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7047   -1.2152   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    3.5749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7165   -2.7019   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0144   -0.4601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5131   -3.5749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9436   -3.5749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3240   -1.2034   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9850   -4.9908   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0619   -3.2564   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4952   -4.9908   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6336   -0.4365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3358   -2.6901   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9939   -6.0880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0708   -4.3536   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6454    1.0737   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9433   -1.1681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6454   -3.4216   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5427   -5.7695   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.9551   -2.6547   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  2  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  1  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13 01  0  1  0  0
 11 14 02  0  1  0  0
 12 15  1  0  0  0  0
 13 16 02  0  2  0  0
 13 17 01  0  1  0  0
 14 18 01  0  1  0  0
 15 19 02  0  1  0  0
 15 20 01  0  1  0  0
 16 21 01  0  1  0  0
 17 22 02  0  1  0  0
 19 23  1  0  0  0  0
 19 24 01  0  1  0  0
 20 25 02  0  1  0  0
 21 26 02  0  1  0  0
 24 27 02  0  1  0  0
  4  6 01  0  1  0  0
  8 10 01  0  1  0  0
 16 18 01  0  1  0  0
 22 26 01  0  1  0  0
 25 27 01  0  1  0  0
M  END

2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine

₹ 0.00 0.00

Chemical Name - 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine
Mol Weight - 351.452
Smiles - Nc1c(CC(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1

Property Name	Property Value
Mol Name	2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine
Molweight	351.452
Monoisotopic Mass	351.173547
Clogp	4.7901
Clogs	-5.529
H Acceptors	3
H Donors	3
Total Surface Area	275.9
Relative Psa	0.15676
Polar Surface Area	57.6
Druglikeness	0.33135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40741
Molecular Flexibility	0.33963
Molecular Complexity	0.86791
Fragments	1
Non H Atoms	27
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3 Atoms	2
Symmetric Atoms	9
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
Smiles	Nc1c(CC(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1
InChIKey	InChI=1S/C24H21N3/c25-22-10-4-1-7-16(22)13-19(20-14-26-23-11-5-2-8-17(20)23)21-15-27-24-12-6-3-9-18(21)24/h1-12,14-15,19,26-27H,13,25H2
InChI	GDGIXKWOJJMLNP-UHFFFAOYSA-N

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1 - 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine
2 - 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine

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2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine